data_6sjw_residue ############################ # Computer software used # ############################ 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 6sjw _Structure_validation_residue.Date_analyzed 2020-02-21 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 ' 1' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.187 0 N-CA-C 114.093 0.766 . . . . 0.0 114.093 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.75 124.83 24.38 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.71 143.82 48.56 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 126.471 1.909 . . . . 0.0 111.514 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -117.12 134.97 54.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 109.872 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -80.44 109.1 14.62 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.142 0.977 . . . . 0.0 109.852 166.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.25 -33.83 17.95 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -99.32 -6.49 27.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 42.66 5.15 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 167.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -138.36 20.27 2.75 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.168 1.387 . . . . 0.0 113.787 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.62 165.47 41.35 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.166 1.841 . . . . 0.0 114.135 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.8 138.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 109.497 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -146.71 158.33 43.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.807 -1.183 . . . . 0.0 113.281 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.0 p -130.82 158.68 39.51 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -164.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 127.829 2.452 . . . . 0.0 110.279 173.881 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.432 0.158 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.62 151.92 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 123.98 0.912 . . . . 0.0 113.027 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 p -53.65 163.19 0.71 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.872 1.269 . . . . 0.0 114.394 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.38 -8.66 48.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -87.59 -32.77 19.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.613 -1.304 . . . . 0.0 113.133 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -100.55 -167.94 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.126 1.771 . . . . 0.0 112.934 -170.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.28 170.13 39.37 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 120.357 -1.465 . . . . 0.0 115.305 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.7 mt -110.79 146.63 36.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.387 1.475 . . . . 0.0 111.939 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 tp -84.16 130.21 34.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.573 0.749 . . . . 0.0 111.156 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.34 165.05 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 C-N-CA 124.47 1.108 . . . . 0.0 112.943 -172.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -145.19 125.1 13.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.127 1.771 . . . . 0.0 109.416 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -80.72 121.76 26.29 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 118.53 0.605 . . . . 0.0 109.457 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.0 mt -105.26 -3.21 23.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.579 1.151 . . . . 0.0 113.94 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -125.78 1.24 7.43 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.29 78.97 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 115.814 1.086 . . . . 0.0 115.814 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -85.53 2.75 43.52 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 119.372 1.586 . . . . 0.0 114.537 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.33 3.28 90.68 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.54 1.543 . . . . 0.0 115.917 174.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.4 pt -138.59 163.44 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 126.15 1.78 . . . . 0.0 112.49 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.6 mm -101.02 112.28 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.0 1.32 . . . . 0.0 109.561 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -146.85 1.04 0.77 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -124.9 148.14 48.47 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 124.939 1.296 . . . . 0.0 111.312 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.32 -22.59 44.86 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 116.919 1.528 . . . . 0.0 116.919 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.72 -10.48 55.56 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.578 1.689 . . . . 0.0 115.298 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -84.9 -13.15 51.77 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -171.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.34 114.41 26.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.131 1.772 . . . . 0.0 109.266 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -64.37 124.96 23.1 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -169.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.71 -164.74 33.39 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.325 0.964 . . . . 0.0 113.014 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -71.17 24.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -128.13 -11.03 5.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.77 2.028 . . . . 0.0 113.056 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -73.26 150.31 42.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 118.988 0.813 . . . . 0.0 110.283 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -104.76 144.99 30.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.916 0.886 . . . . 0.0 113.087 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.13 175.01 10.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.652 2.781 . . . . 0.0 110.983 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.34 69.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -81.52 -3.62 53.65 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.477 -1.389 . . . . 0.0 114.46 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.16 4.42 74.49 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 120.635 -1.291 . . . . 0.0 115.074 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -70.61 147.97 48.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.613 1.706 . . . . 0.0 110.666 167.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -72.2 143.57 48.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.89 -1.131 . . . . 0.0 111.591 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.41 144.83 44.14 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.198 0.999 . . . . 0.0 111.936 171.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -75.14 -27.23 59.69 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.48 ' CD2' HE21 ' A' ' 149' ' ' GLN . 0.7 OUTLIER -159.18 171.0 20.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.744 2.017 . . . . 0.0 110.959 176.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.02 -27.18 66.73 Favored Glycine 0 CA--C 1.521 0.417 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.672 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -68.55 -43.3 76.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 118.837 1.318 . . . . 0.0 112.348 174.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.29 77.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.824 -0.547 . . . . 0.0 112.409 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.49 84.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.792 1.237 . . . . 0.0 113.287 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -78.67 -34.48 46.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 112.979 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.14 -24.6 64.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.1 -23.04 18.69 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 124.954 1.301 . . . . 0.0 114.056 171.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.6 mt -96.43 -5.0 40.7 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.693 1.197 . . . . 0.0 114.011 -170.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -69.51 121.29 16.74 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.154 0.888 . . . . 0.0 109.967 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -84.45 -37.94 20.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -110.87 -10.38 14.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.5 37.85 11.58 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 120.37 1.441 . . . . 0.0 115.047 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -99.48 -2.34 36.21 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.104 1.362 . . . . 0.0 112.41 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.88 25.31 13.96 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.136 2.174 . . . . 0.0 114.991 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.1 pt -132.4 152.93 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.177 1.391 . . . . 0.0 111.56 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.2 mm -100.68 113.4 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -143.45 167.28 22.57 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.234 1.814 . . . . 0.0 111.89 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -19.94 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 -169.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 -21.04 62.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -75.68 125.78 29.72 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.081 1.352 . . . . 0.0 110.597 166.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.9 67.79 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.21 -19.18 63.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -62.0 -35.26 77.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 120.382 -1.448 . . . . 0.0 112.526 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -69.69 -19.26 63.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.474 -0.766 . . . . 0.0 113.057 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -98.49 -24.04 15.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.569 1.947 . . . . 0.0 113.524 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.29 152.28 44.14 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.911 0.884 . . . . 0.0 112.445 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -141.02 164.41 30.35 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.32 1.848 . . . . 0.0 110.485 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.4 t -115.02 132.46 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 124.539 1.136 . . . . 0.0 109.087 168.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -98.44 118.22 34.62 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.006 1.322 . . . . 0.0 109.838 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -112.57 98.2 7.09 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.759 1.224 . . . . 0.0 108.608 168.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.78 123.2 25.85 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.889 0.476 . . . . 0.0 110.454 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.9 mt -87.23 -11.41 49.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -115.79 -2.25 12.44 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 164.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.264 5.4 mp0 58.73 30.25 19.73 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.931 2.092 . . . . 0.0 115.403 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -79.6 -19.95 48.08 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.807 -1.183 . . . . 0.0 113.13 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.8 33.65 71.15 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 124.643 1.116 . . . . 0.0 112.528 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.2 mt -122.78 120.23 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 126.49 1.916 . . . . 0.0 106.538 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.2 t -87.74 134.76 33.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -157.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -123.37 151.16 42.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.512 1.525 . . . . 0.0 110.909 166.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.56 75.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -166.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.46 -16.79 64.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.58 -16.3 54.5 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 125.977 1.711 . . . . 0.0 113.134 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.53 146.0 26.55 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.821 0.848 . . . . 0.0 110.252 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -139.44 153.37 47.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.962 2.105 . . . . 0.0 110.759 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -79.61 165.36 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.106 0.962 . . . . 0.0 112.359 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.39 -38.01 74.62 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.306 -0.872 . . . . 0.0 111.488 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.68 -38.35 80.27 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.858 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.56 -28.69 67.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 120.085 1.311 . . . . 0.0 113.086 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.2 mt -83.68 1.32 43.09 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.101 1.761 . . . . 0.0 112.967 173.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.11 26.15 72.98 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.173 -0.954 . . . . 0.0 114.289 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 98.4 mt -85.28 133.52 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 118.571 1.185 . . . . 0.0 110.246 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.56 -50.21 5.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.311 1.844 . . . . 0.0 111.655 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.1 p -158.21 161.75 37.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.261 1.025 . . . . 0.0 112.878 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.3 mp -115.61 139.62 49.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.253 1.421 . . . . 0.0 109.362 167.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -86.84 137.39 32.44 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.867 0.867 . . . . 0.0 111.518 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.25 -11.29 38.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 119.049 0.841 . . . . 0.0 113.119 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.71 135.89 39.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.951 1.251 . . . . 0.0 112.01 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -141.2 172.06 13.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.318 1.047 . . . . 0.0 113.648 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.46 142.81 45.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.478 2.311 . . . . 0.0 109.973 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -74.22 139.6 44.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 111.382 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.47 -35.65 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.957 1.303 . . . . 0.0 114.065 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 51.31 40.81 27.18 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.666 1.586 . . . . 0.0 113.644 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -89.69 121.09 31.54 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.766 1.626 . . . . 0.0 112.221 -168.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -71.22 125.08 25.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.1 mt -97.32 -34.31 11.11 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.931 0.892 . . . . 0.0 113.141 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.91 158.85 7.75 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 125.677 1.608 . . . . 0.0 112.6 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.5 m120 46.31 36.09 3.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 127.368 2.267 . . . . 0.0 114.97 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.99 -4.72 85.52 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 125.59 1.566 . . . . 0.0 116.745 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -83.56 135.41 34.64 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.091 1.445 . . . . 0.0 111.339 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 62.0 m -135.2 123.0 22.39 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 123.857 0.863 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -76.79 114.48 15.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.09 -52.78 8.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 118.794 0.725 . . . . 0.0 111.874 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.48 HE21 ' CD2' ' A' ' 76' ' ' HIS . 6.9 pt20 -141.37 147.3 37.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 125.634 1.574 . . . . 0.0 111.052 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -133.65 142.09 47.9 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.939 1.295 . . . . 0.0 112.669 -173.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -140.33 -147.99 5.08 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 127.27 2.367 . . . . 0.0 111.233 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.9 m -126.24 164.77 20.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.898 1.279 . . . . 0.0 113.526 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -132.78 163.37 29.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.674 1.589 . . . . 0.0 109.254 155.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.5 m -122.97 139.82 53.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.775 1.23 . . . . 0.0 110.698 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.14 157.66 16.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.588 1.955 . . . . 0.0 111.64 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.2 p -63.84 -24.49 67.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -69.59 -4.4 19.03 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 94.1 -0.29 66.47 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 126.157 1.837 . . . . 0.0 115.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 2.0 m -85.96 151.46 23.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 119.34 1.57 . . . . 0.0 111.578 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.3 p -107.69 153.92 22.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.349 1.06 . . . . 0.0 112.341 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.92 164.12 33.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.479 1.512 . . . . 0.0 111.191 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -80.13 145.86 32.14 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 122.508 1.147 . . . . 0.0 112.991 -173.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.0 ptm -144.5 160.74 40.6 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.808 0.843 . . . . 0.0 110.329 162.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -170.38 172.45 44.04 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 118.424 0.557 . . . . 0.0 113.691 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -90.91 114.45 26.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.6 0.714 . . . . 0.0 109.938 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.8 tp -105.3 121.74 44.49 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.997 1.719 . . . . 0.0 110.731 -171.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 51.5 mt -78.62 121.5 24.74 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.85 1.26 . . . . 0.0 108.787 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 124.969 1.308 . . . . 0.0 111.602 -172.207 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo . . . . . 0 CA--C 1.519 -0.252 0 N-CA-C 113.304 0.463 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.98 124.44 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.523 1.129 . . . . 0.0 112.703 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.81 143.29 49.49 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.585 2.354 . . . . 0.0 112.044 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -118.06 133.09 56.24 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 127.067 2.147 . . . . 0.0 109.703 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -74.16 120.69 20.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.6 -0.688 . . . . 0.0 109.329 167.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.45 -41.86 13.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -113.45 21.59 15.01 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.124 1.77 . . . . 0.0 114.96 -170.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.42 28.92 68.86 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 118.42 -1.211 . . . . 0.0 116.083 166.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -129.87 13.79 5.81 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.492 1.646 . . . . 0.0 114.324 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.49 162.03 38.04 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.911 1.243 . . . . 0.0 113.49 -173.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -78.86 120.86 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 O-C-N 121.781 -0.835 . . . . 0.0 109.457 -176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.96 132.59 38.27 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.926 1.29 . . . . 0.0 111.778 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -135.23 159.86 40.21 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.598 1.159 . . . . 0.0 113.811 -166.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.444 -0.754 0 C-N-CA 127.311 2.244 . . . . 0.0 111.201 -172.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.4 m -88.16 143.93 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -64.22 160.59 18.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.233 163.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.05 -17.43 52.33 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 120.798 -1.189 . . . . 0.0 114.133 169.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.82 -19.73 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 127.354 2.262 . . . . 0.0 114.595 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -137.41 170.36 16.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.016 2.126 . . . . 0.0 113.919 -176.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.88 153.55 19.8 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 123.989 0.804 . . . . 0.0 114.813 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 mt -101.21 139.32 37.06 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.274 1.83 . . . . 0.0 110.998 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 tp -77.03 127.76 33.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.222 0.609 . . . . 0.0 110.248 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.2 m -144.48 162.33 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.299 1.04 . . . . 0.0 112.64 -170.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -146.25 131.33 18.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.308 1.443 . . . . 0.0 109.921 164.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.77 123.41 23.27 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 122.899 0.48 . . . . 0.0 110.323 169.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.8 1.94 29.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.218 1.407 . . . . 0.0 113.701 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.92 13.45 3.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.48 9.82 69.47 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 170.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -80.84 -6.1 58.15 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.722 2.261 . . . . 0.0 114.034 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.34 89.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 124.895 1.236 . . . . 0.0 115.835 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.1 pt -135.42 166.79 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.914 1.686 . . . . 0.0 112.736 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -100.13 114.61 39.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 125.575 1.55 . . . . 0.0 109.469 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -147.28 -25.22 0.39 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -87.59 148.04 25.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 120.119 1.327 . . . . 0.0 110.866 172.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.22 -18.61 35.87 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 117.146 1.618 . . . . 0.0 117.146 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.68 -14.08 35.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -78.4 -24.5 46.25 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -89.87 134.31 34.27 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.271 1.028 . . . . 0.0 110.348 161.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -69.97 107.23 3.5 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 122.953 0.501 . . . . 0.0 111.885 -172.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.91 -171.53 23.97 Favored Glycine 0 C--N 1.341 0.846 0 C-N-CA 125.032 1.301 . . . . 0.0 112.1 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -71.34 1.87 5.62 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -100.22 -14.6 18.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.04 1.336 . . . . 0.0 112.902 170.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -68.36 149.53 49.28 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.629 1.172 . . . . 0.0 109.713 163.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -95.31 158.97 15.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.401 1.08 . . . . 0.0 113.513 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.45 169.88 17.41 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.291 1.436 . . . . 0.0 110.833 162.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.4 69.1 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -88.19 13.28 11.73 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 119.754 1.161 . . . . 0.0 113.943 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.49 1.6 86.61 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 126.016 1.769 . . . . 0.0 115.076 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -72.21 161.51 30.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 119.458 1.629 . . . . 0.0 112.487 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -68.82 148.97 49.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.117 0.567 . . . . 0.0 112.353 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.79 148.82 24.49 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 124.856 1.263 . . . . 0.0 111.275 171.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -77.19 -32.48 56.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.78 170.25 22.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 127.827 2.451 . . . . 0.0 111.006 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.53 -28.41 73.59 Favored Glycine 0 C--N 1.338 0.664 0 O-C-N 121.109 -0.995 . . . . 0.0 114.564 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.37 -41.1 94.15 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.833 1.316 . . . . 0.0 112.045 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.27 83.5 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 118.927 0.785 . . . . 0.0 112.554 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.5 81.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.75 -36.8 73.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.051 0.94 . . . . 0.0 112.914 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.51 -19.41 63.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.84 -17.99 64.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.5 mt -94.58 1.21 55.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.84 127.04 32.22 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.329 0.968 . . . . 0.0 110.908 164.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.9 m -88.71 -15.94 33.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -109.61 -21.78 12.28 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -159.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.66 38.34 57.23 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 123.884 0.754 . . . . 0.0 112.664 -165.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 43.3 p30 -110.08 -0.32 18.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.715 1.206 . . . . 0.0 113.253 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 t30 59.58 23.25 11.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 127.147 2.179 . . . . 0.0 115.838 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.5 pt -135.69 154.24 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 124.482 1.113 . . . . 0.0 112.812 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -103.76 114.56 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -147.07 172.27 14.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.625 1.97 . . . . 0.0 111.369 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.26 -16.08 12.64 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.33 -22.28 60.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 171.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -81.48 130.44 35.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.908 1.283 . . . . 0.0 111.164 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.141 -1.6 . . . . 0.0 112.865 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.96 -25.82 65.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 171.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -62.91 -25.84 68.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 O-C-N 120.163 -1.585 . . . . 0.0 112.844 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.17 -25.29 36.93 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.571 1.148 . . . . 0.0 113.583 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 p -101.14 -21.05 15.07 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.75 146.79 44.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 112.284 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -141.6 170.2 16.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 126.933 2.093 . . . . 0.0 110.469 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.9 t -114.89 138.85 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 124.33 1.052 . . . . 0.0 109.158 164.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -118.6 132.44 56.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.462 1.028 . . . . 0.0 109.836 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.49 128.07 45.09 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 124.124 0.969 . . . . 0.0 109.602 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -87.07 79.09 8.79 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.38 1.086 . . . . 0.0 111.251 -172.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.1 -17.38 39.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.468 1.507 . . . . 0.0 113.711 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -112.25 4.21 17.62 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.153 1.381 . . . . 0.0 113.734 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 46.46 60.96 2.99 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 126.52 1.928 . . . . 0.0 113.598 169.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -127.73 -16.87 4.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.055 1.742 . . . . 0.0 113.764 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.42 5.5 82.2 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.149 1.833 . . . . 0.0 115.276 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.1 mt -116.52 140.62 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 127.66 2.384 . . . . 0.0 108.733 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.5 t -93.19 138.74 31.32 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -130.08 144.74 51.51 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.052 1.741 . . . . 0.0 109.552 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -30.13 69.54 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -173.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -73.24 -16.14 61.41 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -86.33 -9.19 56.9 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.533 1.533 . . . . 0.0 113.72 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.8 mp -84.41 135.5 34.25 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.361 -0.837 . . . . 0.0 111.793 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -113.7 144.81 42.32 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 128.318 2.647 . . . . 0.0 110.382 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.1 p -76.47 162.58 27.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.95 0.5 . . . . 0.0 111.656 165.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.01 -39.96 94.18 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.551 -0.718 . . . . 0.0 111.243 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.98 -45.32 94.17 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.878 1.271 . . . . 0.0 112.603 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.79 -19.17 63.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.397 0.999 . . . . 0.0 113.142 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -92.21 -1.79 56.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.976 1.31 . . . . 0.0 113.6 169.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.93 18.72 79.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 124.958 1.266 . . . . 0.0 115.457 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 84.4 mt -78.89 124.84 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 119.093 1.446 . . . . 0.0 109.687 -174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -92.7 -48.71 6.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.557 1.543 . . . . 0.0 111.697 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.5 p -161.85 161.32 28.91 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 113.015 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.9 mt -107.04 146.52 31.07 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.355 1.462 . . . . 0.0 111.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -93.17 130.85 38.69 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.756 1.222 . . . . 0.0 110.726 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.24 -2.46 58.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.36 147.28 23.15 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.721 1.146 . . . . 0.0 112.18 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -157.12 170.88 21.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.511 1.524 . . . . 0.0 110.831 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -122.92 141.88 51.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.021 1.329 . . . . 0.0 110.129 169.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -71.92 127.79 33.69 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 123.596 0.759 . . . . 0.0 110.254 167.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.4 m -126.86 -23.74 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.924 1.29 . . . . 0.0 113.161 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.7 m120 50.37 36.66 13.56 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 125.078 1.351 . . . . 0.0 113.993 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -80.84 114.08 19.48 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 127.447 2.299 . . . . 0.0 111.132 -165.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -66.43 133.71 50.99 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.859 -0.525 . . . . 0.0 111.175 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.5 mt -117.9 8.56 12.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.94 1.296 . . . . 0.0 113.364 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.62 169.62 26.96 Favored Glycine 0 CA--C 1.523 0.58 0 O-C-N 120.713 -1.242 . . . . 0.0 114.177 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 54.34 28.68 9.68 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.944 1.297 . . . . 0.0 114.232 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.58 3.5 89.66 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.907 1.242 . . . . 0.0 115.932 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -86.17 143.04 28.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.639 1.72 . . . . 0.0 112.344 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -142.16 130.19 21.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 109.942 170.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.7 tp -91.76 107.64 19.35 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.36 -47.64 13.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -170.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -128.52 139.95 52.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.677 1.591 . . . . 0.0 110.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -132.09 140.76 48.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.314 1.446 . . . . 0.0 112.363 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.72 -152.44 5.83 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 128.131 2.777 . . . . 0.0 112.188 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 81.2 p -143.13 170.67 15.3 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -132.97 157.15 45.89 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 127.424 2.289 . . . . 0.0 112.048 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 35.9 m -104.05 138.99 39.79 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 125.216 1.406 . . . . 0.0 111.293 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -103.64 155.91 18.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.099 1.76 . . . . 0.0 114.02 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.5 p -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.899 1.279 . . . . 0.0 113.661 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -78.9 9.8 3.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.728 1.211 . . . . 0.0 114.115 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.45 8.06 87.52 Favored Glycine 0 C--O 1.221 -0.661 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 8.5 m -85.9 144.09 27.86 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.831 1.316 . . . . 0.0 111.753 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 99.7 m -108.92 133.68 52.6 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.625 1.17 . . . . 0.0 110.489 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -134.4 157.39 46.54 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.52 1.528 . . . . 0.0 113.032 -167.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.46 141.31 32.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.559 1.543 . . . . 0.0 112.456 -168.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -150.58 163.69 37.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.529 1.132 . . . . 0.0 112.669 168.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.53 173.85 46.46 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.179 0.445 . . . . 0.0 114.165 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -87.92 117.56 26.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 121.936 -0.744 . . . . 0.0 110.484 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 46.2 tp -110.72 126.93 55.07 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.982 1.713 . . . . 0.0 110.564 -172.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.96 88.24 2.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 122.663 1.221 . . . . 0.0 109.632 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.451 -0.382 0 C-N-CA 127.243 2.217 . . . . 0.0 111.841 177.087 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo . . . . . 0 N--CA 1.463 -0.266 0 CA-C-O 118.481 -0.716 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.01 121.45 12.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.88 0.763 . . . . 0.0 111.351 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.32 145.0 45.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.566 2.347 . . . . 0.0 110.84 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.75 136.81 53.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.76 1.624 . . . . 0.0 110.362 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.78 110.28 16.96 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.29 -24.51 23.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -165.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -113.02 -7.8 13.67 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.06 32.98 9.22 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 120.656 -1.278 . . . . 0.0 115.309 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -131.57 19.67 4.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.52 1.66 . . . . 0.0 113.835 174.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.36 154.5 31.02 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 126.59 2.043 . . . . 0.0 114.626 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -75.16 120.36 24.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 124.773 1.229 . . . . 0.0 109.309 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -120.93 143.81 48.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -114.85 158.17 22.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.446 -0.651 0 C-N-CA 126.254 1.822 . . . . 0.0 110.368 170.674 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.52 127.59 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 124.995 1.318 . . . . 0.0 109.897 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -55.76 152.4 9.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.424 -0.798 . . . . 0.0 112.338 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.95 -9.8 4.8 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 172.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.8 -28.93 69.81 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.344 1.458 . . . . 0.0 113.306 166.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -129.8 -171.57 2.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.675 2.79 . . . . 0.0 112.572 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 174.67 38.42 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 116.344 1.297 . . . . 0.0 116.344 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.74 144.56 30.28 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.406 1.882 . . . . 0.0 111.31 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.94 132.33 39.0 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.199 0.6 . . . . 0.0 110.071 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.96 164.44 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 124.188 0.995 . . . . 0.0 113.034 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -152.16 125.51 8.76 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.378 1.471 . . . . 0.0 110.105 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -77.66 128.88 34.81 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 118.438 0.563 . . . . 0.0 110.004 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -105.44 -6.45 19.48 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.41 -0.85 6.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.62 38.75 57.12 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -108.75 -3.5 17.73 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.7 7.08 88.78 Favored Glycine 0 C--N 1.339 0.748 0 C-N-CA 125.201 1.382 . . . . 0.0 115.772 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 pt -133.04 155.34 41.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 119.318 1.559 . . . . 0.0 112.683 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.8 mm -99.91 102.36 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 126.112 1.765 . . . . 0.0 107.776 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -120.29 -3.99 9.97 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -162.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -153.63 160.84 42.52 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.234 1.414 . . . . 0.0 111.83 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.52 -16.87 63.72 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 116.213 1.245 . . . . 0.0 116.213 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -13.1 60.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.446 1.123 . . . . 0.0 113.866 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -92.38 -7.61 47.24 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.409 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.19 166.37 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.705 2.002 . . . . 0.0 110.342 160.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.09 107.02 18.34 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.99 164.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.48 -167.36 35.04 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.443 1.02 . . . . 0.0 113.425 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -70.85 3.16 3.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 116.304 1.964 . . . . 0.0 116.304 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -124.0 14.18 9.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.503 1.521 . . . . 0.0 111.87 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.3 m -89.41 148.2 23.62 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.264 1.826 . . . . 0.0 110.569 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.53 148.92 23.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.08 175.7 7.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.688 2.395 . . . . 0.0 110.949 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -30.46 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -79.77 1.29 27.28 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.983 1.313 . . . . 0.0 113.486 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 0.53 87.99 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.571 1.558 . . . . 0.0 113.967 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.2 p -78.51 161.55 26.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 119.014 1.407 . . . . 0.0 110.916 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -87.43 141.89 28.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.61 -1.306 . . . . 0.0 112.99 -174.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 137.96 47.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.677 1.191 . . . . 0.0 111.364 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -70.52 -25.66 63.23 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.441 ' CD2' HE21 ' A' ' 149' ' ' GLN . 9.5 p80 -159.63 171.16 20.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.111 2.165 . . . . 0.0 111.752 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.95 -26.06 71.11 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.63 -38.7 54.25 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 119.164 1.482 . . . . 0.0 112.496 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.26 73.9 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 119.155 0.889 . . . . 0.0 111.82 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.019 0.928 . . . . 0.0 113.18 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -75.24 -32.39 61.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.885 0.874 . . . . 0.0 112.979 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -18.69 59.78 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.776 1.23 . . . . 0.0 114.256 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.7 -22.96 49.18 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 113.754 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.5 mt -103.51 2.53 33.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -166.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -75.1 125.17 28.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.377 -0.827 . . . . 0.0 109.939 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -91.73 -30.36 16.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -109.22 -3.95 16.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.53 62.0 4.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.745 1.164 . . . . 0.0 112.011 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -122.81 3.28 9.48 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.34 1.056 . . . . 0.0 113.692 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.5 t30 67.92 20.07 9.32 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.716 1.607 . . . . 0.0 115.161 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 pt -135.55 155.54 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 C-N-CA 125.014 1.326 . . . . 0.0 112.583 169.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mm -105.07 119.1 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.494 1.517 . . . . 0.0 109.113 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -152.69 169.21 23.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.785 1.234 . . . . 0.0 111.561 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 -25.2 65.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.16 -14.12 61.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -84.22 134.03 34.56 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 119.842 1.201 . . . . 0.0 112.498 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.82 65.35 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -171.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.41 -19.08 58.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.055 1.742 . . . . 0.0 114.691 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -61.07 -33.02 72.66 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.813 1.188 . . . . 0.0 113.025 -169.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.84 -28.77 66.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -86.34 -11.47 52.01 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 93.0 mt -76.35 137.79 40.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.816 -1.178 . . . . 0.0 112.538 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -136.95 170.43 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.822 1.649 . . . . 0.0 110.683 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.8 t -123.05 134.37 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.763 1.225 . . . . 0.0 109.171 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -102.49 124.85 48.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.975 1.31 . . . . 0.0 109.764 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -117.7 102.2 8.95 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.572 1.549 . . . . 0.0 108.262 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.04 111.63 12.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.359 -0.838 . . . . 0.0 109.572 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.5 mt -73.05 -11.01 60.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.69 1.196 . . . . 0.0 113.263 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -113.87 -8.29 13.15 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 126.263 1.825 . . . . 0.0 113.477 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.93 33.29 11.36 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.484 1.913 . . . . 0.0 113.883 -172.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -92.1 -6.99 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.65 22.36 72.6 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 124.124 0.869 . . . . 0.0 114.774 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -121.96 122.11 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 C-N-CA 126.826 2.051 . . . . 0.0 107.788 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -87.76 139.75 30.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.862 0.865 . . . . 0.0 113.04 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -129.71 154.11 47.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.378 1.471 . . . . 0.0 109.641 169.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.46 69.07 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -71.1 -8.47 53.66 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.18 -8.4 36.38 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.362 1.465 . . . . 0.0 112.798 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.4 mt -89.54 151.29 22.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.27 1.028 . . . . 0.0 110.944 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -133.14 146.41 51.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.292 1.837 . . . . 0.0 110.533 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.5 p -69.18 155.14 40.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.222 1.009 . . . . 0.0 111.153 165.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.5 mt -66.91 -28.66 68.49 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 120.809 -1.182 . . . . 0.0 110.943 165.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.18 -46.86 87.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.794 1.238 . . . . 0.0 112.566 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.6 -19.15 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.08 -13.71 43.5 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.631 1.172 . . . . 0.0 112.462 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.66 42.27 87.93 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 124.755 1.169 . . . . 0.0 113.223 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.69 130.84 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.153 0.981 . . . . 0.0 109.566 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.03 -45.41 5.95 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.126 1.77 . . . . 0.0 112.175 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.0 p -160.05 166.48 29.85 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.843 1.257 . . . . 0.0 111.857 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 mp -127.65 144.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -84.32 143.3 29.59 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.036 0.935 . . . . 0.0 113.323 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 76.3 mt -100.65 -3.46 30.31 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.392 1.477 . . . . 0.0 112.627 163.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.93 122.83 26.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.62 1.168 . . . . 0.0 110.648 164.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -137.27 164.25 29.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.712 1.605 . . . . 0.0 113.332 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -128.16 139.54 52.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.186 2.195 . . . . 0.0 110.114 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.12 125.52 28.52 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 118.774 0.716 . . . . 0.0 109.242 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.52 -29.98 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 49.12 39.68 15.78 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 126.253 1.821 . . . . 0.0 114.412 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -75.18 131.18 40.26 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.137 1.375 . . . . 0.0 111.345 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -84.41 114.7 22.09 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.583 1.083 . . . . 0.0 109.48 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.31 17.41 12.87 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.766 1.226 . . . . 0.0 113.778 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.41 170.05 41.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 124.674 1.13 . . . . 0.0 113.315 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 52.5 26.7 4.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.633 1.973 . . . . 0.0 114.83 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 9.86 82.64 Favored Glycine 0 C--N 1.344 1.002 0 C-N-CA 126.085 1.803 . . . . 0.0 116.434 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -102.26 140.98 35.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.021 1.41 . . . . 0.0 112.363 -172.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.9 m -128.83 117.44 21.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.886 0.875 . . . . 0.0 112.394 -173.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.5 tp -80.06 97.45 6.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.301 1.44 . . . . 0.0 108.961 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.46 -55.82 10.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.238 0.615 . . . . 0.0 112.626 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.441 HE21 ' CD2' ' A' ' 76' ' ' HIS . 35.0 mt-30 -131.32 142.75 50.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.974 1.31 . . . . 0.0 110.226 -178.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -135.53 141.43 45.24 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.939 1.296 . . . . 0.0 112.116 -168.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.65 -149.78 5.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 127.319 2.39 . . . . 0.0 111.627 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 66.6 m -138.05 166.17 24.76 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 123.948 0.899 . . . . 0.0 113.337 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -131.34 162.57 29.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.003 1.721 . . . . 0.0 110.533 165.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.4 m -116.87 140.62 49.24 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.077 1.351 . . . . 0.0 110.722 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -99.49 159.86 14.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.661 1.584 . . . . 0.0 111.819 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 40.8 p -68.45 -14.79 63.25 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -82.05 6.41 16.34 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 166.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.61 -3.86 85.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 125.692 1.615 . . . . 0.0 115.974 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 54.8 p -76.88 153.89 34.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.205 1.502 . . . . 0.0 113.264 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 2.8 m -111.97 139.2 47.66 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.455 1.502 . . . . 0.0 110.15 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.6 45.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 111.69 -164.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -93.92 145.64 24.48 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -167.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -153.99 164.58 38.2 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.743 1.217 . . . . 0.0 112.86 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.9 171.82 44.37 Favored Glycine 0 N--CA 1.439 -1.122 0 O-C-N 121.246 -0.909 . . . . 0.0 114.896 173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -82.96 105.2 13.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.517 1.127 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 51.5 tp -97.43 114.17 25.97 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.888 1.675 . . . . 0.0 110.855 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 40.9 mt -75.34 130.03 38.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.054 1.341 . . . . 0.0 108.768 169.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.223 -0.312 0 C-N-CA 124.724 1.21 . . . . 0.0 112.053 -169.375 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 CA--C 1.519 -0.27 0 N-CA-C 112.908 0.311 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.33 125.98 28.35 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.47 148.96 42.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.22 2.208 . . . . 0.0 111.856 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -119.45 139.6 51.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.249 2.22 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -82.51 100.33 10.03 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.43 1.492 . . . . 0.0 110.66 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.25 95.4 mt -91.44 -19.66 22.61 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -168.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -100.25 -8.63 23.27 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 121.071 1.759 . . . . 0.0 114.338 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.92 27.76 15.64 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 165.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -123.0 15.35 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.288 1.544 . . . . 0.0 114.446 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.23 154.03 28.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 126.696 2.094 . . . . 0.0 113.104 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.67 135.75 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 121.244 -1.151 . . . . 0.0 110.216 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -129.95 152.9 48.91 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.389 1.476 . . . . 0.0 113.351 -175.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.6 p -137.07 151.1 48.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.6 1.56 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t . . . . . 0 N--CA 1.446 -0.629 0 C-N-CA 125.473 1.509 . . . . 0.0 110.39 -176.257 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 120.299 0.095 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.07 137.5 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.887 0.875 . . . . 0.0 111.82 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 t -62.45 152.6 33.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.354 1.062 . . . . 0.0 113.12 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.34 -22.08 65.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.09 -8.09 59.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -118.15 -173.67 2.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.861 2.465 . . . . 0.0 111.907 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.16 179.63 39.59 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 120.062 -1.649 . . . . 0.0 114.759 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.21 143.88 44.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.751 1.621 . . . . 0.0 112.186 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.7 127.34 32.82 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 123.979 0.912 . . . . 0.0 109.829 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.93 159.35 14.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 124.3 1.04 . . . . 0.0 112.462 -168.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -154.28 131.58 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.229 1.012 . . . . 0.0 111.715 169.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.67 124.98 25.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.591 1.157 . . . . 0.0 112.281 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.8 mt -107.18 -3.38 19.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.568 . . . . 0.0 114.764 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -127.06 17.66 7.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.09 25.36 75.48 Favored Glycine 0 C--N 1.342 0.863 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 167.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -106.17 -4.46 20.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.341 1.456 . . . . 0.0 114.342 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.89 -3.71 74.22 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 125.824 1.678 . . . . 0.0 115.961 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.23 165.97 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.075 1.75 . . . . 0.0 112.163 -175.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -105.85 106.91 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 125.602 1.561 . . . . 0.0 108.944 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -144.83 13.22 1.48 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -169.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -137.83 142.72 40.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.427 1.091 . . . . 0.0 111.226 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.18 -15.78 45.76 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 -173.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.9 -15.54 34.12 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.82 1.31 . . . . 0.0 114.023 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -75.86 -22.94 55.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.671 1.188 . . . . 0.0 112.201 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.95 129.81 35.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.927 1.291 . . . . 0.0 108.242 160.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -66.5 108.07 2.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.34 0.518 . . . . 0.0 112.198 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.84 -166.43 21.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 124.505 1.05 . . . . 0.0 113.392 -171.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -79.77 6.17 11.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.753 1.221 . . . . 0.0 114.188 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.78 -5.77 19.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.271 1.428 . . . . 0.0 113.111 165.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -77.81 144.7 36.87 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.409 1.483 . . . . 0.0 110.033 165.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -98.13 159.87 14.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.53 170.86 9.83 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 128.229 2.612 . . . . 0.0 110.531 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.79 -20.46 65.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -170.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -87.49 1.64 52.92 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 125.759 1.624 . . . . 0.0 113.137 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 -1.34 88.92 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 125.504 1.526 . . . . 0.0 116.285 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -68.21 155.4 39.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.55 1.675 . . . . 0.0 111.848 166.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -76.77 145.54 38.49 Favored 'General case' 0 N--CA 1.441 -0.917 0 O-C-N 121.357 -0.839 . . . . 0.0 111.085 173.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.86 154.55 39.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.612 -0.68 . . . . 0.0 112.824 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.42 -47.4 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.562 1.545 . . . . 0.0 110.996 167.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.3 172.15 17.11 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 127.443 2.297 . . . . 0.0 110.178 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.94 -27.62 62.4 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 121.178 -0.951 . . . . 0.0 115.124 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.28 -37.44 80.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 118.38 1.09 . . . . 0.0 113.293 174.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.98 73.74 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.526 -0.734 . . . . 0.0 112.239 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.83 76.42 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 173.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.16 -40.96 43.61 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.197 1.399 . . . . 0.0 112.54 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -23.44 65.9 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.37 -22.55 61.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.744 1.217 . . . . 0.0 112.976 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.5 mt -91.06 -5.8 54.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.097 1.359 . . . . 0.0 114.468 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -73.02 124.87 26.35 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 119.413 1.006 . . . . 0.0 110.255 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.1 p -81.15 -17.43 49.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.654 1.182 . . . . 0.0 114.041 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -111.51 -24.92 9.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -167.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.27 28.84 73.56 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 118.655 0.662 . . . . 0.0 113.281 -158.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -90.06 7.33 38.29 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.528 1.131 . . . . 0.0 112.61 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 63.88 25.28 13.96 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.933 2.093 . . . . 0.0 114.48 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.76 152.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.258 1.423 . . . . 0.0 113.022 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.6 123.07 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -151.4 175.92 11.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.494 1.918 . . . . 0.0 111.284 -172.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.99 -16.17 16.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -175.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.64 65.97 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 120.355 1.434 . . . . 0.0 114.305 168.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -92.97 139.51 30.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.441 1.496 . . . . 0.0 111.893 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.76 70.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.032 -1.043 . . . . 0.0 113.316 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.48 66.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.66 -25.67 68.25 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.791 1.178 . . . . 0.0 113.191 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -91.57 -19.61 22.56 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 172.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.7 p -97.49 -25.43 15.18 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 121.43 1.923 . . . . 0.0 114.844 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.35 151.47 40.74 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.344 1.457 . . . . 0.0 112.011 171.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -136.54 166.71 22.87 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.718 1.607 . . . . 0.0 110.337 172.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.6 t -123.9 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.055 1.342 . . . . 0.0 108.911 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -120.93 127.95 52.31 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.709 1.203 . . . . 0.0 112.045 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -116.39 108.86 16.58 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.166 1.386 . . . . 0.0 109.957 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -81.71 72.41 8.76 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.958 0.903 . . . . 0.0 111.426 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.19 -24.34 67.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -105.98 8.75 32.6 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 54.78 61.15 3.1 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.403 1.881 . . . . 0.0 114.153 164.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -133.98 -1.03 3.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.16 67.64 Favored Glycine 0 CA--C 1.527 0.781 0 O-C-N 120.629 -1.295 . . . . 0.0 115.998 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.1 mt -97.21 137.83 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 119.47 1.635 . . . . 0.0 109.101 174.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.8 p -94.84 149.95 20.7 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.901 1.28 . . . . 0.0 112.454 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -138.38 158.95 43.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.654 1.982 . . . . 0.0 110.527 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.2 74.76 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.344 -0.847 . . . . 0.0 113.185 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -77.25 -7.39 55.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 174.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -100.49 -17.7 17.02 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 113.666 170.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.9 mt -84.85 152.47 23.58 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.391 1.477 . . . . 0.0 112.057 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -143.61 151.18 39.85 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.393 2.277 . . . . 0.0 111.513 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.4 p -73.74 162.91 28.64 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.035 1.334 . . . . 0.0 111.513 159.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.11 -35.57 74.21 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.1 -39.88 82.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.583 0.753 . . . . 0.0 113.021 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.34 -23.04 61.09 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.9 mt -78.2 -1.39 32.59 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.562 1.545 . . . . 0.0 113.631 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.41 26.05 71.18 Favored Glycine 0 C--O 1.219 -0.785 0 C-N-CA 124.97 1.271 . . . . 0.0 114.85 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.8 mt -82.21 133.2 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 118.658 1.229 . . . . 0.0 109.933 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -97.42 -39.94 8.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.408 1.483 . . . . 0.0 111.932 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.3 p -157.92 154.42 27.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 38.7 mt -100.1 135.75 41.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.238 1.415 . . . . 0.0 109.122 165.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.39 143.46 30.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 119.046 0.839 . . . . 0.0 112.525 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.85 3.99 26.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.193 1.397 . . . . 0.0 113.957 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.24 135.2 33.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 111.197 162.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -159.05 161.42 36.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.135 1.374 . . . . 0.0 111.461 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -125.42 146.87 49.42 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.564 1.946 . . . . 0.0 110.758 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -74.22 129.59 38.11 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.541 0.736 . . . . 0.0 109.84 171.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.11 -20.79 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.6 m120 48.22 35.77 5.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -91.97 122.47 34.52 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.411 1.484 . . . . 0.0 112.434 -164.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -84.93 138.33 32.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 111.938 -175.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.58 17.78 9.61 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 125.39 1.476 . . . . 0.0 114.572 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.24 172.05 5.43 Favored Glycine 0 C--N 1.333 0.416 0 O-C-N 120.213 -1.555 . . . . 0.0 113.354 -168.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 50.34 32.64 6.53 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.026 1.73 . . . . 0.0 114.319 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 62.58 11.69 36.61 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 117.223 1.649 . . . . 0.0 117.223 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -84.33 138.72 32.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.589 1.195 . . . . 0.0 110.488 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.7 m -139.96 138.17 35.32 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.119 0.968 . . . . 0.0 110.572 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -93.4 108.3 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.772 1.629 . . . . 0.0 108.553 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.19 18.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -129.27 141.99 50.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.812 2.045 . . . . 0.0 109.949 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -137.01 136.2 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 120.113 1.324 . . . . 0.0 113.451 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.79 -148.47 5.48 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 127.673 2.559 . . . . 0.0 111.166 168.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.0 m -139.0 168.72 19.2 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.812 1.245 . . . . 0.0 113.799 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -130.05 156.18 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.287 1.435 . . . . 0.0 110.341 159.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.1 m -116.91 141.11 48.66 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.489 1.515 . . . . 0.0 110.055 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.51 165.56 11.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.113 1.365 . . . . 0.0 113.496 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.1 p -66.23 -14.43 61.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -93.11 1.02 57.39 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.59 1.556 . . . . 0.0 114.933 170.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.9 -0.86 86.63 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 117.835 -1.536 . . . . 0.0 115.495 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 55.7 p -74.77 159.91 31.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 119.835 1.817 . . . . 0.0 112.244 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 48.9 p -124.31 155.55 38.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.813 1.245 . . . . 0.0 111.965 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.86 164.72 32.8 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.996 0.919 . . . . 0.0 111.54 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -71.68 148.95 45.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.097 0.959 . . . . 0.0 112.982 -173.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.4 159.51 43.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.137 0.975 . . . . 0.0 110.724 157.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.53 174.32 46.07 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 121.698 -0.626 . . . . 0.0 114.236 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.78 112.11 23.95 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.821 0.848 . . . . 0.0 111.923 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 67.8 tp -112.52 136.18 52.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.951 2.1 . . . . 0.0 112.024 -169.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.75 126.73 32.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.572 0.749 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.221 -0.419 0 C-N-CA 127.889 2.476 . . . . 0.0 113.153 -169.396 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo . . . . . 0 N--CA 1.465 -0.153 0 N-CA-C 113.272 0.451 . . . . 0.0 113.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.98 132.64 47.67 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.97 150.12 50.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -115.24 133.08 56.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.953 2.101 . . . . 0.0 110.664 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -80.3 105.25 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.384 1.073 . . . . 0.0 110.318 169.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.75 -35.82 29.24 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -165.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -106.29 -2.18 22.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.954 1.301 . . . . 0.0 114.328 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.49 10.84 82.88 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 118.477 -1.18 . . . . 0.0 115.947 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -85.34 -4.4 59.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 120.367 2.083 . . . . 0.0 113.298 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.2 166.06 13.3 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 126.36 1.933 . . . . 0.0 114.396 173.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.35 124.01 33.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.61 146.97 36.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.354 1.462 . . . . 0.0 113.35 -163.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -127.35 162.59 25.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.272 1.429 . . . . 0.0 112.236 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.451 -0.403 0 C-N-CA 126.457 1.903 . . . . 0.0 110.621 173.674 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 121.346 0.594 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.8 137.35 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.535 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -59.67 146.46 41.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.853 0.861 . . . . 0.0 112.67 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.63 -18.23 62.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -78.12 -7.81 57.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.732 1.613 . . . . 0.0 113.568 173.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -113.95 159.18 20.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.053 1.741 . . . . 0.0 113.002 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.63 134.0 11.57 Favored Glycine 0 N--CA 1.446 -0.674 0 O-C-N 121.51 -0.743 . . . . 0.0 113.3 -172.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.8 mt -82.16 129.62 34.87 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 117.689 0.744 . . . . 0.0 108.997 167.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -77.53 126.1 30.36 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.331 0.652 . . . . 0.0 109.854 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.47 166.51 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 124.791 1.236 . . . . 0.0 112.403 -168.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -147.79 138.66 23.32 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.794 1.638 . . . . 0.0 110.89 169.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.59 119.22 24.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.444 0.565 . . . . 0.0 110.868 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.3 mt -94.41 -13.35 26.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.125 1.37 . . . . 0.0 114.548 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -128.42 10.8 6.26 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.4 9.25 85.95 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 116.399 1.319 . . . . 0.0 116.399 167.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -81.96 -2.22 50.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 119.423 1.611 . . . . 0.0 114.447 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.37 6.45 89.25 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.414 1.483 . . . . 0.0 116.084 175.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.0 pt -138.26 166.41 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 C-N-CA 125.848 1.659 . . . . 0.0 112.619 -174.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.8 mm -102.53 114.91 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 125.802 1.641 . . . . 0.0 109.842 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.11 3.89 1.06 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -138.48 138.1 37.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.704 2.001 . . . . 0.0 109.326 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.87 -18.84 19.42 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.36 -14.29 62.14 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -88.37 -17.15 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.857 1.663 . . . . 0.0 113.506 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.17 162.88 23.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.035 1.734 . . . . 0.0 109.694 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -95.17 106.63 18.67 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.234 -1.541 . . . . 0.0 110.761 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.02 -155.23 13.71 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 125.511 1.529 . . . . 0.0 113.085 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -69.4 -10.83 59.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -167.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -75.16 -21.78 58.55 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 120.459 -1.401 . . . . 0.0 112.948 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -74.42 136.43 42.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.316 0.962 . . . . 0.0 112.29 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -98.79 137.03 37.97 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.553 1.541 . . . . 0.0 110.913 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.0 mt -90.98 158.33 16.77 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 127.033 2.133 . . . . 0.0 110.75 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.01 -10.99 55.62 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -88.48 1.92 53.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.859 1.664 . . . . 0.0 113.343 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.08 -8.83 78.94 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.132 1.349 . . . . 0.0 115.575 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -74.65 159.07 32.57 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 118.906 1.353 . . . . 0.0 112.027 172.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.07 154.22 20.36 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 120.731 -1.231 . . . . 0.0 110.728 163.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.71 138.94 55.33 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.023 0.529 . . . . 0.0 111.979 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -80.09 -29.59 39.08 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.978 0.911 . . . . 0.0 112.94 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.31 168.55 25.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.432 1.893 . . . . 0.0 112.038 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.92 -27.4 68.59 Favored Glycine 0 C--N 1.338 0.642 0 C-N-CA 123.843 0.735 . . . . 0.0 114.22 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -69.65 -42.5 74.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.605 1.203 . . . . 0.0 112.514 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.26 80.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.484 1.038 . . . . 0.0 112.587 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.28 96.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.666 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.04 -35.43 56.87 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.182 -0.949 . . . . 0.0 113.216 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.26 -16.03 61.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -62.85 -24.5 67.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 121.134 -0.979 . . . . 0.0 113.455 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.5 mt -93.32 -9.42 38.93 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -166.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.28 119.53 11.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 118.509 0.595 . . . . 0.0 109.529 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -93.62 -27.65 16.47 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -109.62 -12.13 14.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.82 46.79 9.2 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-N 119.276 0.944 . . . . 0.0 114.141 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -104.55 2.88 31.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.612 1.565 . . . . 0.0 112.788 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t30 62.02 25.84 15.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.886 2.074 . . . . 0.0 114.307 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.3 pt -132.24 153.44 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.9 mm -100.27 117.54 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 166.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -144.67 172.73 12.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.556 1.542 . . . . 0.0 111.208 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.57 -15.35 26.86 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.51 -12.99 59.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -85.3 133.52 34.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 120.272 -1.518 . . . . 0.0 111.424 164.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.26 68.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.732 -1.23 . . . . 0.0 113.913 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.95 -23.23 67.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.18 -29.48 68.72 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 120.362 1.437 . . . . 0.0 113.529 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.36 -17.52 48.78 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.502 1.121 . . . . 0.0 113.915 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -95.48 -27.33 15.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.601 1.56 . . . . 0.0 113.441 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.86 142.38 58.28 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.513 1.125 . . . . 0.0 111.529 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -138.96 164.55 29.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.597 1.959 . . . . 0.0 109.985 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.92 129.9 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.84 1.256 . . . . 0.0 108.625 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -118.69 134.09 55.38 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.427 1.091 . . . . 0.0 112.847 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -121.86 114.82 21.58 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.327 1.851 . . . . 0.0 110.52 174.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -78.51 75.5 5.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.767 -1.208 . . . . 0.0 111.807 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.1 -44.49 67.66 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.127 1.371 . . . . 0.0 114.04 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -89.4 -7.95 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.981 1.312 . . . . 0.0 114.43 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 55.57 56.72 5.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.577 1.551 . . . . 0.0 112.85 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 p30 -94.79 -9.17 35.35 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 120.009 -1.682 . . . . 0.0 113.301 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.68 2.19 90.61 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.652 1.12 . . . . 0.0 114.26 -173.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.02 145.01 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 126.695 1.998 . . . . 0.0 109.996 -169.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 134.84 37.22 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.296 1.038 . . . . 0.0 111.272 174.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -130.35 145.14 51.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.703 1.601 . . . . 0.0 108.341 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.71 -27.52 67.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -166.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -67.47 -17.65 64.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -89.84 -7.95 53.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.867 1.667 . . . . 0.0 114.327 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -87.13 152.66 22.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.028 0.931 . . . . 0.0 110.389 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -136.01 148.03 48.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.257 2.223 . . . . 0.0 110.944 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.7 p -68.52 161.12 28.53 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.699 1.2 . . . . 0.0 111.054 164.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.36 -38.57 84.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.764 -0.585 . . . . 0.0 110.495 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -63.27 -42.44 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.251 1.42 . . . . 0.0 112.859 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.94 -14.37 60.63 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.0 6.58 45.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.496 1.519 . . . . 0.0 112.643 168.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.02 15.8 76.48 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 124.271 0.938 . . . . 0.0 115.264 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.6 mt -78.69 132.61 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 118.687 1.243 . . . . 0.0 109.304 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -99.22 -41.42 7.49 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.561 1.544 . . . . 0.0 111.474 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 99.8 p -158.34 161.12 37.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.533 1.133 . . . . 0.0 112.857 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.5 mt -110.91 139.19 46.44 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 126.344 1.858 . . . . 0.0 109.1 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -89.38 136.98 32.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.528 0.731 . . . . 0.0 111.38 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.08 -8.2 46.51 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.62 137.52 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 111.287 168.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -147.02 168.8 20.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.35 1.06 . . . . 0.0 112.127 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -121.14 132.93 55.14 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.924 2.09 . . . . 0.0 109.766 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -69.23 130.44 42.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 122.729 0.412 . . . . 0.0 110.963 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m -137.54 -34.42 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.35 44.16 12.39 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 114.426 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -73.81 118.36 16.68 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.732 1.213 . . . . 0.0 111.614 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.45 120.42 20.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.414 1.086 . . . . 0.0 112.476 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.4 -1.57 21.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -171.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 83.69 168.04 42.95 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 125.121 1.343 . . . . 0.0 114.5 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 49.02 31.17 3.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 127.226 2.211 . . . . 0.0 114.286 -176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.03 16.12 80.9 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 125.796 1.665 . . . . 0.0 115.929 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -99.0 147.24 25.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.47 1.635 . . . . 0.0 112.119 170.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -142.94 139.95 30.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.202 1.401 . . . . 0.0 109.324 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.0 101.45 12.93 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.12 0.968 . . . . 0.0 108.611 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.08 -54.09 6.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.591 0.756 . . . . 0.0 113.017 -170.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -127.46 138.85 53.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 108.504 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.39 138.18 52.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.875 1.27 . . . . 0.0 111.499 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -151.42 -155.41 6.96 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 125.739 1.638 . . . . 0.0 111.778 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.8 p -134.99 165.86 24.37 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -135.38 156.82 48.3 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.609 1.964 . . . . 0.0 110.345 165.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.7 m -114.67 133.83 55.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.824 0.85 . . . . 0.0 109.838 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.75 154.5 17.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 125.494 1.518 . . . . 0.0 111.624 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -66.08 -22.43 66.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.473 -1.392 . . . . 0.0 113.482 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -77.36 2.04 17.12 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.44 85.05 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 116.738 1.455 . . . . 0.0 116.738 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 59.6 m -70.42 143.38 51.85 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.725 1.262 . . . . 0.0 111.498 172.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 7.4 m -105.46 135.69 46.39 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.911 1.285 . . . . 0.0 108.98 168.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -137.22 162.65 32.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.49 1.516 . . . . 0.0 111.495 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -97.43 144.7 26.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.696 1.198 . . . . 0.0 113.854 -165.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.2 ptm -150.07 167.54 26.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.676 1.191 . . . . 0.0 111.949 172.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.36 -179.1 47.59 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.048 -1.033 . . . . 0.0 114.623 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -92.27 104.77 17.09 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.596 1.158 . . . . 0.0 110.331 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.96 121.33 32.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.904 1.282 . . . . 0.0 110.605 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.01 121.17 23.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.939 0.496 . . . . 0.0 112.132 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.238 0.478 0 C-N-CA 127.995 2.518 . . . . 0.0 112.169 -174.676 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo . . . . . 0 C--O 1.237 0.458 0 CA-C-O 119.106 -0.456 . . . . 0.0 112.762 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.1 128.21 35.34 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 118.877 0.762 . . . . 0.0 112.137 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.73 151.38 48.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.752 2.021 . . . . 0.0 112.025 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -121.77 140.38 52.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.726 2.01 . . . . 0.0 110.69 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -82.07 103.25 11.56 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 111.341 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt -91.94 -18.81 23.18 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -109.96 -2.05 17.35 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 120.932 1.697 . . . . 0.0 114.606 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.46 24.01 25.01 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 164.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -128.05 19.64 6.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.746 1.619 . . . . 0.0 114.033 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.81 156.41 32.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 125.551 1.548 . . . . 0.0 114.87 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.3 134.74 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 121.32 -1.106 . . . . 0.0 111.171 -172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -125.23 153.38 43.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.68 1.592 . . . . 0.0 114.283 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -131.88 163.69 27.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.962 1.305 . . . . 0.0 113.21 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.449 -0.488 0 C-N-CA 128.072 2.549 . . . . 0.0 110.887 -177.562 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.77 135.95 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 124.934 1.294 . . . . 0.0 110.864 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -59.92 145.85 44.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.142 -0.973 . . . . 0.0 112.78 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.75 -17.04 62.63 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -77.19 -11.77 59.86 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 119.972 1.26 . . . . 0.0 113.693 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -118.46 -172.69 2.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.956 3.302 . . . . 0.0 111.889 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.77 165.45 37.53 Favored Glycine 0 N--CA 1.448 -0.522 0 O-C-N 120.576 -1.327 . . . . 0.0 116.066 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.9 mt -100.66 132.34 46.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.106 2.162 . . . . 0.0 112.258 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -76.32 130.43 38.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 119.737 1.153 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.61 167.68 4.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 125.149 1.379 . . . . 0.0 112.524 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -147.62 130.62 16.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 109.616 166.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -74.03 124.2 25.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.897 0.879 . . . . 0.0 110.674 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.09 -0.8 43.77 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.441 1.496 . . . . 0.0 114.524 -175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -138.78 3.31 2.25 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.37 12.85 83.88 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 120.625 -1.297 . . . . 0.0 115.909 167.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -75.81 -9.47 58.62 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 119.363 1.581 . . . . 0.0 114.026 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.07 5.68 82.9 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 126.313 1.911 . . . . 0.0 114.801 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -124.05 149.83 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 127.495 2.318 . . . . 0.0 109.97 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.61 106.19 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.355 . . . . 0.0 108.896 168.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -137.12 0.92 2.4 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -165.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -133.91 145.98 50.11 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.828 1.651 . . . . 0.0 109.646 169.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.99 -27.67 65.05 Favored Glycine 0 N--CA 1.447 -0.614 0 O-C-N 120.927 -1.108 . . . . 0.0 114.245 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -16.12 44.37 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.39 -15.25 43.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.908 1.283 . . . . 0.0 113.176 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.31 143.26 28.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.646 1.578 . . . . 0.0 110.276 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -80.67 105.45 11.92 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.009 -1.057 . . . . 0.0 110.164 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.66 178.2 31.55 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.808 1.194 . . . . 0.0 114.415 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.44 150.0 44.69 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 121.378 -1.072 . . . . 0.0 111.985 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.58 16.75 6.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.557 2.343 . . . . 0.0 115.146 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -67.76 125.39 26.08 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.736 -1.227 . . . . 0.0 109.386 168.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -84.86 133.73 34.3 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 124.212 1.005 . . . . 0.0 111.72 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -105.95 166.02 10.78 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 127.087 2.155 . . . . 0.0 111.708 -165.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.32 -18.81 64.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -93.9 7.38 45.22 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.953 1.301 . . . . 0.0 113.633 172.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.46 -7.44 78.94 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 126.596 2.046 . . . . 0.0 115.763 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.6 m -72.29 163.89 27.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 118.678 1.239 . . . . 0.0 112.832 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -113.83 136.72 52.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.82 131.7 42.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 113.283 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -64.23 -30.3 71.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 174.97 12.44 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 127.493 2.317 . . . . 0.0 110.777 177.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.21 -32.04 75.25 Favored Glycine 0 C--N 1.341 0.82 0 O-C-N 121.209 -0.932 . . . . 0.0 115.377 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.498 1.149 . . . . 0.0 112.136 173.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 -31.25 71.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.887 0.767 . . . . 0.0 112.666 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.22 89.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.729 0.695 . . . . 0.0 111.85 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 tp -74.01 -33.73 63.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.038 0.935 . . . . 0.0 112.924 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.74 -16.7 63.34 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.393 1.477 . . . . 0.0 114.972 -173.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.75 -13.93 60.31 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.73 1.212 . . . . 0.0 114.183 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.16 -2.89 54.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -71.33 117.67 13.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 118.786 0.721 . . . . 0.0 109.674 170.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -90.83 -27.62 18.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -168.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -110.97 -16.47 13.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.041 1.736 . . . . 0.0 113.813 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.07 74.77 0.95 Allowed Glycine 0 C--N 1.334 0.429 0 C-N-CA 123.908 0.766 . . . . 0.0 112.714 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -135.49 8.41 3.36 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.025 1.33 . . . . 0.0 114.366 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 70.54 6.73 5.94 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 127.394 2.278 . . . . 0.0 115.821 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.9 pt -129.82 147.49 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 122.838 1.304 . . . . 0.0 112.978 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -97.3 114.85 35.46 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 167.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -144.86 169.1 18.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 111.642 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 99' ' ' PHE . . . -59.56 -20.45 55.77 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -171.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.62 61.35 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 172.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -75.41 131.72 40.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 120.078 1.308 . . . . 0.0 111.963 172.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.6 66.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.96 -18.91 49.21 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 94' ' ' ALA . 52.9 t80 -59.36 -40.97 88.16 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.384 -1.448 . . . . 0.0 113.809 -169.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -68.09 -15.22 63.5 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -92.82 -9.52 40.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.002 1.721 . . . . 0.0 114.379 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.99 147.32 51.79 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.729 1.15 . . . . 0.0 111.073 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -141.99 165.37 27.65 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.428 1.891 . . . . 0.0 110.375 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 51.6 t -121.94 121.77 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.934 0.893 . . . . 0.0 109.697 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -91.4 122.0 33.62 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.675 1.19 . . . . 0.0 111.14 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -118.38 99.76 7.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.095 1.358 . . . . 0.0 109.755 171.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.57 105.46 10.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.589 -0.694 . . . . 0.0 111.342 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.92 -29.76 67.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.568 0.747 . . . . 0.0 112.995 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -79.55 -8.32 59.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.286 1.034 . . . . 0.0 112.246 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 57.08 27.01 12.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.131 2.172 . . . . 0.0 113.267 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.58 -15.87 15.19 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.03 17.5 77.17 Favored Glycine 0 C--O 1.219 -0.783 0 CA-C-N 118.889 0.768 . . . . 0.0 113.681 -174.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.5 mm -97.38 104.23 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 170.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.2 t -70.13 133.92 47.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -171.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -123.61 152.43 41.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.962 1.305 . . . . 0.0 110.391 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -21.06 66.44 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -71.79 -24.18 61.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.478 1.111 . . . . 0.0 113.879 172.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -81.58 -5.64 58.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -171.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.09 123.9 36.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.521 1.128 . . . . 0.0 110.876 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -96.19 150.47 20.49 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.647 1.979 . . . . 0.0 110.799 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.6 p -72.62 159.08 34.45 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 123.173 0.589 . . . . 0.0 111.648 161.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.286 0.634 . . . . 0.0 110.683 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.75 -43.88 97.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.378 1.071 . . . . 0.0 112.472 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.16 -13.48 60.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.78 0.09 56.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.062 1.345 . . . . 0.0 113.095 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.34 24.49 76.66 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 125.143 1.354 . . . . 0.0 114.385 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.3 mt -83.3 124.23 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 124.39 1.076 . . . . 0.0 108.702 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -100.86 -41.98 6.63 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.25 1.02 . . . . 0.0 112.345 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.9 p -156.28 161.94 40.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.242 1.017 . . . . 0.0 112.517 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.2 mp -126.78 132.97 50.93 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.96 144.95 45.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 119.356 0.98 . . . . 0.0 112.558 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.4 mt -90.09 9.45 28.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.567 1.147 . . . . 0.0 113.625 163.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -99.88 132.62 45.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.963 2.505 . . . . 0.0 112.219 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -153.24 163.25 40.22 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.962 1.305 . . . . 0.0 112.973 -171.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -135.32 142.43 45.81 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.764 1.626 . . . . 0.0 111.578 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.1 133.31 46.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.747 1.619 . . . . 0.0 111.794 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.13 -21.37 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 125.414 1.486 . . . . 0.0 114.08 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 46.67 40.41 8.55 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 126.068 1.747 . . . . 0.0 114.646 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.81 122.09 32.56 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.537 1.535 . . . . 0.0 112.021 -162.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -72.1 128.65 36.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 122.557 0.343 . . . . 0.0 111.365 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.08 1.43 24.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 88.5 169.59 45.04 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 126.016 1.769 . . . . 0.0 113.953 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 48.19 34.19 4.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.574 1.95 . . . . 0.0 113.857 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.32 6.88 88.8 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 125.516 1.532 . . . . 0.0 116.407 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -96.94 145.27 26.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.324 1.562 . . . . 0.0 112.407 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.1 m -136.87 129.52 30.37 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.861 0.864 . . . . 0.0 112.874 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.6 tt -81.59 112.46 18.82 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.08 0.952 . . . . 0.0 108.757 167.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.33 -59.71 2.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.423 -0.798 . . . . 0.0 112.502 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.96 142.6 47.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.01 1.324 . . . . 0.0 112.864 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -122.1 144.33 48.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.57 1.948 . . . . 0.0 112.268 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.6 -146.6 4.64 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 128.552 2.977 . . . . 0.0 111.119 170.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.3 m -145.24 164.81 30.23 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -121.9 152.76 39.28 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.192 1.797 . . . . 0.0 110.957 163.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.3 m -106.95 135.19 48.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.276 1.83 . . . . 0.0 110.499 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -103.25 159.67 15.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.594 1.558 . . . . 0.0 114.542 -173.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 44.1 p -63.96 -24.29 67.67 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.725 1.61 . . . . 0.0 114.074 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -79.86 2.99 21.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.071 1.748 . . . . 0.0 114.924 172.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.56 8.21 86.43 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 125.485 1.517 . . . . 0.0 116.153 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.1 p -98.95 172.75 7.22 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.205 1.503 . . . . 0.0 112.781 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.8 p -114.76 157.83 22.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.814 1.646 . . . . 0.0 111.521 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.27 157.76 43.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.995 1.318 . . . . 0.0 111.304 168.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -78.91 147.67 32.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -171.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -149.89 162.59 40.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.72 1.608 . . . . 0.0 110.474 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.84 173.58 46.14 Favored Glycine 0 N--CA 1.444 -0.825 0 O-C-N 121.362 -0.836 . . . . 0.0 114.798 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -82.09 119.83 24.53 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 117.964 0.882 . . . . 0.0 110.264 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 20.1 tp -117.29 117.69 30.23 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.777 1.631 . . . . 0.0 110.397 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 37.3 mt -78.64 116.1 18.78 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.736 1.614 . . . . 0.0 108.745 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 124.533 1.133 . . . . 0.0 110.829 -175.124 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.466 -0.141 0 N-CA-C 113.016 0.352 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.15 126.78 28.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.93 153.77 39.26 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.1 2.56 . . . . 0.0 111.768 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -133.71 140.99 47.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.322 1.449 . . . . 0.0 111.511 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.96 127.14 36.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.899 1.679 . . . . 0.0 110.891 167.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.94 -29.62 18.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -104.06 -5.09 22.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.31 12.8 66.91 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.91 1.232 . . . . 0.0 115.038 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -115.65 2.55 13.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.778 2.031 . . . . 0.0 114.268 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.2 160.54 27.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 126.466 1.984 . . . . 0.0 115.453 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -84.02 132.25 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 124.925 1.29 . . . . 0.0 110.765 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.45 169.56 11.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 126.966 2.106 . . . . 0.0 112.273 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -130.75 165.82 22.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.449 -0.482 0 C-N-CA 125.484 1.514 . . . . 0.0 111.91 175.113 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.0 m -91.73 155.39 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.988 2.915 . . . . 0.0 113.326 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.42 156.68 1.69 Allowed 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 120.513 -1.367 . . . . 0.0 113.291 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -19.94 58.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -91.87 -7.12 50.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.851 1.66 . . . . 0.0 113.71 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -116.97 176.69 5.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 127.18 2.192 . . . . 0.0 110.658 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.31 170.98 35.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 120.481 -1.387 . . . . 0.0 115.658 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.05 150.05 26.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 112.28 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -77.9 129.12 34.97 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 110.493 168.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.4 172.07 9.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.34 1.056 . . . . 0.0 112.256 -174.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -150.02 145.7 26.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.455 1.502 . . . . 0.0 110.964 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -96.04 120.23 35.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.745 0.702 . . . . 0.0 109.862 168.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.4 -4.24 42.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.361 1.464 . . . . 0.0 114.556 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -138.84 11.57 2.67 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.44 21.0 72.15 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 115.965 1.146 . . . . 0.0 115.965 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -88.7 -2.48 58.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.837 1.318 . . . . 0.0 114.555 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.7 0.33 89.2 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 126.603 2.049 . . . . 0.0 115.936 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.0 pt -137.02 167.23 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 125.726 1.611 . . . . 0.0 112.887 -173.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 36.2 mm -93.81 123.48 45.93 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 C-N-CA 126.057 1.743 . . . . 0.0 108.864 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.32 -20.07 0.15 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -103.24 147.4 27.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.85 1.204 . . . . 0.0 112.371 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.29 -20.67 51.46 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 124.949 1.261 . . . . 0.0 115.965 -174.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.48 1.83 54.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.012 1.406 . . . . 0.0 114.364 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.15 -13.53 38.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -170.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.4 mt -98.82 156.59 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.952 1.701 . . . . 0.0 110.44 162.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 72.2 m-85 -101.77 106.68 17.71 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.077 0.951 . . . . 0.0 110.605 176.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 -175.14 28.28 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.302 0.501 . . . . 0.0 114.332 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.74 158.3 13.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.311 -0.523 . . . . 0.0 111.423 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 61.53 4.11 0.94 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.568 1.947 . . . . 0.0 115.712 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -67.11 128.78 37.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.304 -1.497 . . . . 0.0 110.595 170.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -77.64 138.21 38.98 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.222 0.609 . . . . 0.0 111.69 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.2 mt -107.14 167.61 9.79 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 127.326 2.25 . . . . 0.0 111.431 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.66 -31.73 71.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -167.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -79.14 -1.28 35.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 114.038 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 7.43 84.13 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 124.279 0.942 . . . . 0.0 115.189 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -79.53 169.54 17.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 118.823 1.311 . . . . 0.0 112.215 166.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -125.0 140.1 53.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.809 1.244 . . . . 0.0 110.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.94 138.3 47.98 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.37 1.068 . . . . 0.0 113.453 -174.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -78.91 -25.49 43.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.14 1.376 . . . . 0.0 114.315 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -159.88 170.79 20.67 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.882 2.073 . . . . 0.0 110.986 173.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.86 -30.16 74.41 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.6 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -66.7 -40.89 88.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.854 1.327 . . . . 0.0 112.06 173.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.73 -26.26 66.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.01 0.823 . . . . 0.0 113.16 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.43 67.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 tp -80.41 -34.93 35.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.236 1.014 . . . . 0.0 113.262 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -14.85 61.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -62.21 -25.41 67.78 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.088 0.955 . . . . 0.0 113.27 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt -88.24 -3.73 58.82 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -72.87 125.55 27.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.209 0.913 . . . . 0.0 110.858 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.0 m -90.33 -34.81 15.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -110.43 -1.87 16.86 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.338 1.455 . . . . 0.0 114.746 -171.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.02 33.56 45.08 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 120.028 1.286 . . . . 0.0 115.115 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -95.08 -5.38 44.41 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.905 1.353 . . . . 0.0 113.303 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.6 t30 63.88 31.71 13.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.127 2.171 . . . . 0.0 114.366 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.93 153.8 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 125.476 1.51 . . . . 0.0 111.308 164.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.07 115.15 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 124.846 1.258 . . . . 0.0 108.804 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.24 170.55 18.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 111.674 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.65 60.39 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -165.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.19 60.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.571 -1.331 . . . . 0.0 113.94 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.21 135.36 44.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.264 1.026 . . . . 0.0 111.566 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.42 67.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -165.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.73 -15.65 47.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.12 -40.27 73.48 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -161.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.62 -10.12 59.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 119.637 1.108 . . . . 0.0 113.978 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.8 m -78.97 -23.82 44.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.718 1.607 . . . . 0.0 112.718 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 154.62 40.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.94 1.696 . . . . 0.0 112.264 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.1 mmt-85 -142.23 168.49 19.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.887 2.075 . . . . 0.0 111.022 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.46 143.09 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.889 1.676 . . . . 0.0 108.916 166.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -119.99 129.85 54.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.342 1.057 . . . . 0.0 110.85 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.71 129.04 50.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.283 1.433 . . . . 0.0 107.923 166.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.61 87.17 6.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.159 0.891 . . . . 0.0 110.336 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.44 -17.54 63.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -162.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -111.74 -4.18 14.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.898 1.679 . . . . 0.0 114.311 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 51.27 49.74 20.43 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 114.125 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -85.26 -19.0 32.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.169 -0.957 . . . . 0.0 112.453 173.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.58 16.55 58.39 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.869 1.224 . . . . 0.0 114.118 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.3 mt -137.8 141.92 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 126.902 2.081 . . . . 0.0 109.011 -170.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.9 p -92.54 148.52 22.02 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.875 -1.141 . . . . 0.0 112.868 171.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -135.13 159.51 41.31 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.944 1.298 . . . . 0.0 110.614 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.83 -31.79 66.98 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -167.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -83.85 -20.17 33.6 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.516 1.053 . . . . 0.0 113.173 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -14.54 58.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.275 1.43 . . . . 0.0 113.693 -169.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.3 mt -83.85 132.7 34.78 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.051 -1.031 . . . . 0.0 110.932 170.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -114.98 150.18 36.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.425 1.89 . . . . 0.0 112.032 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 46.4 p -78.22 161.67 27.13 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.862 1.265 . . . . 0.0 112.294 168.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.96 -42.84 84.53 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.789 -0.569 . . . . 0.0 111.139 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.35 -36.79 77.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.27 -21.81 62.93 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.0 mt -90.59 1.65 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.919 1.688 . . . . 0.0 113.317 170.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.83 24.83 73.32 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 124.739 1.162 . . . . 0.0 115.306 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.0 mt -85.65 128.17 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 118.853 1.327 . . . . 0.0 108.883 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -102.04 -42.09 6.21 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.667 1.587 . . . . 0.0 112.559 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.6 p -158.6 156.45 30.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.306 0.957 . . . . 0.0 112.708 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 mt -107.65 135.87 48.36 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.669 1.188 . . . . 0.0 109.562 174.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -86.23 130.92 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.567 0.747 . . . . 0.0 110.918 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -87.14 -6.24 58.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -88.92 151.54 22.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.748 1.219 . . . . 0.0 112.506 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -155.59 168.74 26.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 125.179 1.391 . . . . 0.0 113.175 -171.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -133.11 141.28 48.08 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.84 1.656 . . . . 0.0 110.671 166.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.89 138.18 52.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.287 1.035 . . . . 0.0 111.339 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.46 -23.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 126.839 2.056 . . . . 0.0 114.074 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.5 m120 47.71 36.1 5.28 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 127.457 2.303 . . . . 0.0 114.925 174.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -91.72 134.1 35.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.119 1.767 . . . . 0.0 111.801 -163.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.06 129.17 39.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.653 -0.654 . . . . 0.0 110.609 171.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.74 14.21 31.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 173.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.92 170.31 42.84 Favored Glycine 0 C--N 1.339 0.747 0 C-N-CA 124.687 1.137 . . . . 0.0 114.035 -170.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 52.48 24.74 3.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.871 1.668 . . . . 0.0 115.347 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.98 76.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 125.515 1.531 . . . . 0.0 116.031 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -99.05 144.39 28.25 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 119.121 1.46 . . . . 0.0 112.532 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.1 m -127.97 117.55 21.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.328 1.051 . . . . 0.0 112.227 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.23 103.85 6.46 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.549 0.74 . . . . 0.0 109.092 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.26 -50.86 35.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 122.141 -0.349 . . . . 0.0 111.352 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -142.51 144.7 33.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.913 1.285 . . . . 0.0 111.538 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -127.24 147.02 50.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.582 1.553 . . . . 0.0 111.694 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.81 7.82 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 127.512 2.482 . . . . 0.0 110.444 172.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 89.6 p -124.48 168.26 13.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -134.54 160.49 37.89 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 124.873 1.269 . . . . 0.0 110.312 161.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.5 m -112.35 139.93 47.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 125.663 1.585 . . . . 0.0 111.449 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -102.0 163.49 12.22 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.218 1.807 . . . . 0.0 113.851 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.9 p -66.83 -12.34 58.71 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.652 1.981 . . . . 0.0 114.867 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -96.79 6.43 48.7 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.963 1.705 . . . . 0.0 114.302 167.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.71 -5.63 77.61 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 125.806 1.669 . . . . 0.0 115.725 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.8 p -80.4 173.8 12.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 120.067 1.933 . . . . 0.0 112.612 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 78.6 p -129.99 164.96 23.15 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.515 1.126 . . . . 0.0 112.403 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.66 170.9 18.07 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.725 1.61 . . . . 0.0 110.816 165.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -75.85 148.23 38.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.2 ptm -141.31 165.1 28.44 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.812 1.645 . . . . 0.0 109.761 162.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.28 171.31 44.31 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 120.913 -1.117 . . . . 0.0 114.358 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.49 111.03 20.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.428 0.633 . . . . 0.0 110.412 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 43.7 tp -104.52 111.09 23.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.893 1.677 . . . . 0.0 110.772 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.9 mt -77.21 122.08 24.55 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.551 1.54 . . . . 0.0 109.401 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.448 -0.573 0 C-N-CA 124.262 1.025 . . . . 0.0 111.354 -167.432 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.214 0 N-CA-C 113.008 0.349 . . . . 0.0 113.008 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -59.79 118.93 6.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.97 0.508 . . . . 0.0 111.641 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.37 147.77 31.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.938 2.095 . . . . 0.0 110.638 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.27 134.34 55.12 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.588 1.955 . . . . 0.0 109.335 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.72 107.32 7.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 109.112 163.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.01 -10.26 50.92 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.896 -0.503 . . . . 0.0 112.233 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.73 -19.23 20.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 29.81 27.77 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.52 1.057 . . . . 0.0 114.42 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -143.42 23.84 1.78 Allowed 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.443 1.497 . . . . 0.0 114.965 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.78 168.07 43.06 Favored Glycine 0 CA--C 1.526 0.72 0 O-C-N 120.643 -1.286 . . . . 0.0 114.502 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -82.19 135.46 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 124.885 1.274 . . . . 0.0 110.76 -171.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.93 163.52 32.67 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.903 1.281 . . . . 0.0 113.921 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 p -131.73 166.46 21.47 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.362 1.465 . . . . 0.0 113.157 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 126.082 1.753 . . . . 0.0 112.77 -178.169 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.2 136.63 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.289 1.436 . . . . 0.0 110.391 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 t -61.49 153.19 28.04 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.195 0.998 . . . . 0.0 113.101 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.77 -23.85 67.53 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -174.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.41 -9.66 59.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.848 1.259 . . . . 0.0 113.566 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -120.33 179.04 4.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 128.252 2.621 . . . . 0.0 111.691 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.69 178.46 33.99 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 120.554 -1.341 . . . . 0.0 115.795 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 mt -115.16 135.7 53.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.854 1.662 . . . . 0.0 110.994 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.2 tp -77.2 126.9 31.69 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.037 0.935 . . . . 0.0 110.483 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.66 162.09 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.294 1.038 . . . . 0.0 112.62 -169.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -148.29 118.94 7.48 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.445 1.498 . . . . 0.0 109.47 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -80.95 111.28 17.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.481 -0.762 . . . . 0.0 110.855 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.81 -6.92 44.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.364 1.466 . . . . 0.0 113.88 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -126.65 11.47 7.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.45 27.91 73.01 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 115.929 1.132 . . . . 0.0 115.929 162.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -96.94 -6.7 34.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.3 2.47 76.98 Favored Glycine 0 C--N 1.34 0.789 0 C-N-CA 126.011 1.767 . . . . 0.0 115.836 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 pt -136.74 165.22 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 125.87 1.668 . . . . 0.0 112.17 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.5 mm -105.42 106.87 21.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 C-N-CA 125.185 1.394 . . . . 0.0 109.787 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -148.7 12.82 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -166.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -128.13 138.13 52.39 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.614 1.166 . . . . 0.0 109.056 160.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.49 -14.15 40.8 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.464 -1.186 . . . . 0.0 116.051 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.46 50.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.515 1.658 . . . . 0.0 114.011 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -73.1 -22.02 60.64 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.515 1.526 . . . . 0.0 113.292 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.61 129.44 34.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.306 1.042 . . . . 0.0 108.878 162.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -67.54 107.8 2.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.498 0.59 . . . . 0.0 110.116 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.67 -169.84 36.44 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 121.901 0.723 . . . . 0.0 113.145 -170.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -68.71 3.13 2.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -113.46 0.08 14.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.836 1.254 . . . . 0.0 113.635 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -80.18 141.69 35.43 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.184 1.394 . . . . 0.0 111.246 169.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -90.31 148.19 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.575 1.15 . . . . 0.0 112.54 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 179.77 5.45 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 127.865 2.466 . . . . 0.0 111.39 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -13.32 62.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -168.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -98.42 0.7 45.81 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.686 -1.259 . . . . 0.0 113.485 170.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.09 84.15 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 126.189 1.852 . . . . 0.0 115.391 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 m -71.81 146.89 47.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 120.193 1.996 . . . . 0.0 111.468 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.23 137.2 39.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 121.398 -0.814 . . . . 0.0 111.982 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.32 144.18 53.6 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.382 1.073 . . . . 0.0 112.972 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -71.81 -27.69 63.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.01 173.27 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.642 1.977 . . . . 0.0 111.232 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.13 73.78 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.699 1.142 . . . . 0.0 114.82 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.88 -33.02 71.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.405 1.103 . . . . 0.0 112.96 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -41.31 73.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.399 0.999 . . . . 0.0 110.814 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.95 82.71 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.015 0.926 . . . . 0.0 113.483 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.2 tp -79.47 -38.88 33.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.76 -21.74 66.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -175.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.16 -21.47 66.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.3 mt -87.85 -0.49 57.03 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -76.92 91.19 3.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.176 1.39 . . . . 0.0 111.375 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -64.38 -26.82 68.63 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -107.06 -16.67 14.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.376 1.47 . . . . 0.0 114.538 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.2 54.94 4.54 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-N 119.754 1.161 . . . . 0.0 113.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -110.22 -0.37 17.83 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.708 1.603 . . . . 0.0 113.215 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.253 2.2 t30 71.44 21.84 4.41 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.947 2.099 . . . . 0.0 114.781 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.81 154.74 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 125.326 1.451 . . . . 0.0 112.31 166.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.81 117.39 49.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 C-N-CA 125.073 1.349 . . . . 0.0 109.542 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -152.77 168.36 25.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.328 1.851 . . . . 0.0 112.665 -169.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.82 -14.47 15.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.99 -20.02 56.58 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -75.24 140.55 43.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.953 1.301 . . . . 0.0 112.796 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.58 -26.82 66.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -165.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.25 -15.38 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.062 1.345 . . . . 0.0 114.402 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.85 -38.03 69.53 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.612 1.551 . . . . 0.0 114.887 -164.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -73.22 -9.71 59.0 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.0 p -86.49 -8.13 57.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.56 142.91 42.65 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.743 -1.223 . . . . 0.0 112.263 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -143.2 166.78 23.76 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.441 1.897 . . . . 0.0 110.723 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -121.84 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 C-N-CA 124.236 1.015 . . . . 0.0 109.118 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -106.47 121.08 43.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 125.35 1.46 . . . . 0.0 110.548 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -116.84 99.09 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.333 1.453 . . . . 0.0 108.301 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -70.56 112.66 6.98 Favored 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.875 -0.515 . . . . 0.0 110.925 -173.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.35 -15.52 57.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.56 6.29 18.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.868 1.267 . . . . 0.0 113.936 167.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 51.29 43.0 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 127.959 2.504 . . . . 0.0 114.543 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -102.43 -17.28 15.89 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.37 24.82 67.26 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 119.726 1.148 . . . . 0.0 114.755 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -108.33 125.68 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 C-N-CA 125.528 1.531 . . . . 0.0 107.965 166.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 t -87.83 131.9 34.37 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.485 1.038 . . . . 0.0 113.519 -167.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -132.43 151.76 51.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.561 1.544 . . . . 0.0 111.057 171.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -25.75 68.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 115.656 1.725 . . . . 0.0 115.656 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -66.12 -17.79 64.94 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.37 -8.16 39.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.286 1.834 . . . . 0.0 113.396 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.94 152.11 20.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.363 1.465 . . . . 0.0 111.341 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -143.27 154.6 43.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.818 2.047 . . . . 0.0 111.754 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.2 p -78.74 167.12 21.66 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.426 164.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.75 -42.05 67.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 121.488 -0.758 . . . . 0.0 112.03 173.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.46 -42.03 98.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.107 0.963 . . . . 0.0 112.813 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.63 -24.18 64.52 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 120.85 -1.156 . . . . 0.0 112.748 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.5 0.38 56.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.567 1.547 . . . . 0.0 113.587 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.13 24.0 71.65 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.478 1.037 . . . . 0.0 114.379 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.0 mt -85.64 127.9 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.552 1.176 . . . . 0.0 108.263 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -107.49 -44.81 4.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.606 0.762 . . . . 0.0 112.536 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.3 p -155.05 158.41 39.04 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 119.044 0.838 . . . . 0.0 112.322 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.94 139.7 52.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.894 1.278 . . . . 0.0 110.579 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.57 135.35 34.15 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.054 0.942 . . . . 0.0 112.298 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.5 mt -95.56 0.02 52.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.94 137.46 33.09 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 121.162 -0.961 . . . . 0.0 111.647 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -150.19 173.19 14.2 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.539 1.136 . . . . 0.0 112.496 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -126.24 137.76 53.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 127.821 2.448 . . . . 0.0 109.727 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.35 127.93 34.19 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.665 0.786 . . . . 0.0 110.864 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.44 -30.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -173.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 44.42 46.19 7.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.486 1.914 . . . . 0.0 115.168 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.9 120.57 31.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.147 1.779 . . . . 0.0 111.713 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -72.62 113.63 9.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.036 -1.04 . . . . 0.0 110.34 170.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 17.2 mt -83.79 -22.24 31.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 108.59 175.72 21.77 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 125.434 1.493 . . . . 0.0 113.607 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 53.22 31.77 12.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 113.399 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.75 2.14 86.85 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.733 2.111 . . . . 0.0 116.005 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -108.71 144.12 36.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 120.087 1.944 . . . . 0.0 113.722 -170.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 96.1 m -141.0 124.79 16.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.591 1.156 . . . . 0.0 111.917 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 18.8 tp -87.76 110.25 20.32 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.802 1.641 . . . . 0.0 110.239 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.54 8.34 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -127.62 145.34 50.91 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.09 1.756 . . . . 0.0 110.098 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -135.96 141.39 44.45 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.598 1.159 . . . . 0.0 113.134 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.33 -150.78 5.37 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 128.889 3.138 . . . . 0.0 110.896 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.4 m -138.4 171.26 14.64 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.782 1.233 . . . . 0.0 114.132 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -127.1 158.9 35.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.826 2.05 . . . . 0.0 110.77 166.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.0 m -108.62 135.91 49.08 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.57 1.548 . . . . 0.0 111.849 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -100.55 159.29 15.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.74 1.616 . . . . 0.0 113.287 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.5 p -63.27 -25.71 68.45 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.24 1.816 . . . . 0.0 114.308 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -79.4 0.57 28.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.498 1.519 . . . . 0.0 114.773 171.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.69 77.03 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 126.279 1.895 . . . . 0.0 115.35 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 41.4 p -81.22 164.81 22.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.224 1.512 . . . . 0.0 112.41 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 50.5 p -122.61 153.1 39.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.965 1.306 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.09 161.65 37.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.517 1.127 . . . . 0.0 111.131 170.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -70.77 152.33 43.89 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -172.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.0 ptm -145.77 165.13 29.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.75 1.62 . . . . 0.0 110.498 165.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.56 165.99 34.54 Favored Glycine 0 N--CA 1.443 -0.874 0 O-C-N 120.689 -1.257 . . . . 0.0 113.979 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -82.6 106.82 14.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.784 -0.833 . . . . 0.0 110.328 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.48 113.98 25.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.002 1.321 . . . . 0.0 109.862 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.53 126.5 30.0 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 167.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 124.217 1.007 . . . . 0.0 113.654 -168.121 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.46 -0.477 0 CA-C-O 119.324 -0.365 . . . . 0.0 112.945 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.7 mt -68.88 127.95 34.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.83 153.92 45.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.338 2.655 . . . . 0.0 111.923 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -123.68 142.47 51.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.23 1.812 . . . . 0.0 110.636 176.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.84 97.04 7.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.636 1.575 . . . . 0.0 109.334 167.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.77 -13.44 39.49 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -167.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -112.18 -2.23 15.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.97 31.79 25.28 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 116.961 1.544 . . . . 0.0 116.961 168.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -126.4 23.1 6.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 119.665 1.732 . . . . 0.0 114.583 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.73 150.71 27.44 Favored Glycine 0 C--N 1.339 0.75 0 C-N-CA 126.636 2.065 . . . . 0.0 112.8 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -70.06 128.69 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -135.69 164.13 28.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.717 1.207 . . . . 0.0 113.182 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -132.1 161.63 32.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.32 1.448 . . . . 0.0 113.878 -167.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.448 -0.53 0 C-N-CA 125.929 1.692 . . . . 0.0 112.115 -176.284 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.258 0.551 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.23 144.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 121.613 -0.679 . . . . 0.0 110.28 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t -60.71 151.85 28.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.134 0.973 . . . . 0.0 112.533 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.0 -12.69 61.02 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.06 -11.88 60.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 119.956 1.253 . . . . 0.0 112.737 167.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -112.53 -175.04 2.58 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 128.85 2.86 . . . . 0.0 111.075 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.33 171.24 41.95 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.866 -1.146 . . . . 0.0 114.668 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.8 mt -100.93 141.11 34.29 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.413 1.485 . . . . 0.0 111.615 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 tp -78.79 131.06 36.37 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 123.862 0.865 . . . . 0.0 109.815 171.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 m -145.7 171.16 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.631 1.172 . . . . 0.0 112.368 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -143.69 145.33 32.35 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.879 1.672 . . . . 0.0 110.848 166.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -84.82 134.73 34.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.722 0.692 . . . . 0.0 109.617 165.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -105.18 -15.78 14.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.289 1.835 . . . . 0.0 113.458 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -126.96 2.11 6.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 21.66 70.92 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 120.116 1.326 . . . . 0.0 115.569 171.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -95.52 -2.38 48.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.351 1.461 . . . . 0.0 113.902 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.37 11.84 85.13 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-O 117.935 -1.48 . . . . 0.0 115.743 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.38 162.74 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.966 1.706 . . . . 0.0 111.671 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.0 mm -99.32 100.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 125.843 1.657 . . . . 0.0 109.807 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -147.8 -3.6 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.329 1.451 . . . . 0.0 114.741 -169.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -113.42 30.99 6.79 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 120.555 1.525 . . . . 0.0 114.669 -172.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -74.8 1.51 Allowed Glycine 0 C--N 1.338 0.649 0 C-N-CA 124.337 0.97 . . . . 0.0 114.581 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 2.27 0.73 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.14 2.176 . . . . 0.0 114.743 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.13 -21.2 36.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.589 2.755 . . . . 0.0 113.356 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.8 154.94 19.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.626 1.97 . . . . 0.0 110.313 165.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 70.3 m-85 -107.15 107.31 18.22 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.667 1.187 . . . . 0.0 110.948 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.55 -160.79 10.89 Favored Glycine 0 C--N 1.335 0.487 0 CA-C-N 118.776 0.716 . . . . 0.0 114.649 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -66.7 149.33 50.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.323 -1.104 . . . . 0.0 111.175 166.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.36 6.25 1.85 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -65.32 127.06 30.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 119.897 1.226 . . . . 0.0 110.925 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -76.37 136.79 39.51 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.62 1.168 . . . . 0.0 112.292 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.2 mt -108.56 173.03 6.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.909 2.483 . . . . 0.0 111.853 -173.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.32 71.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -168.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -92.46 12.74 21.78 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 120.029 1.286 . . . . 0.0 113.735 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.42 -2.83 84.18 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 125.712 1.625 . . . . 0.0 115.344 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -69.14 171.29 8.55 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 119.314 1.557 . . . . 0.0 112.786 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -124.41 140.76 52.65 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.465 -0.772 . . . . 0.0 111.863 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 144.39 44.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.701 0.8 . . . . 0.0 111.681 172.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -83.64 -22.96 32.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -158.96 173.17 16.91 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.941 1.697 . . . . 0.0 111.74 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.55 -38.83 96.47 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -67.62 -37.2 82.16 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 118.643 1.222 . . . . 0.0 112.235 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.35 73.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.827 0.74 . . . . 0.0 112.843 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -30.28 70.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.087 -1.008 . . . . 0.0 113.222 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.22 -28.17 22.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.548 1.139 . . . . 0.0 112.974 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -21.8 65.26 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.45 -17.18 64.14 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.717 1.207 . . . . 0.0 113.857 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.6 mt -99.35 1.5 44.47 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -166.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -78.32 119.31 21.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.759 0.709 . . . . 0.0 109.659 166.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -90.22 -30.96 17.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.879 -1.138 . . . . 0.0 113.611 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -107.43 -3.9 19.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.196 1.798 . . . . 0.0 115.157 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.35 36.08 40.45 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 119.042 0.837 . . . . 0.0 114.86 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.1 p30 -96.29 -3.05 44.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.034 1.334 . . . . 0.0 113.51 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.252 4.0 t30 66.33 25.96 10.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 127.412 2.285 . . . . 0.0 115.098 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 pt -132.94 154.35 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.248 1.419 . . . . 0.0 111.591 167.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -100.67 119.09 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 124.425 1.09 . . . . 0.0 109.006 171.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -151.03 168.82 23.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.756 1.223 . . . . 0.0 112.087 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.25 -16.63 47.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 -167.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.65 58.56 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 171.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -69.87 146.04 51.58 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.937 1.295 . . . . 0.0 113.255 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.34 72.96 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -173.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.85 -19.86 60.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.58 -44.6 89.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -152.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 119.79 1.177 . . . . 0.0 113.8 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.4 m -76.67 -22.97 53.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 120.949 -1.094 . . . . 0.0 112.013 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.9 mt -71.96 142.35 49.41 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.0 110.753 170.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -142.25 171.59 13.85 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.223 2.209 . . . . 0.0 110.193 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.9 t -124.64 135.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.699 1.2 . . . . 0.0 110.372 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -112.19 120.61 42.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.54 1.536 . . . . 0.0 110.595 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.48 101.34 9.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.717 1.207 . . . . 0.0 109.745 173.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.25 118.18 19.5 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.674 -0.641 . . . . 0.0 112.081 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.6 mt -88.58 -22.35 23.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -114.04 -12.49 12.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 51.31 60.86 3.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.999 2.119 . . . . 0.0 113.84 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -96.23 -11.18 26.42 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.685 1.994 . . . . 0.0 114.24 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.12 11.13 83.99 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 125.164 1.364 . . . . 0.0 115.044 -170.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -128.36 142.0 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.739 2.015 . . . . 0.0 110.225 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.0 t -93.38 140.12 29.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.384 -0.822 . . . . 0.0 112.398 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -136.59 149.67 48.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 126.354 1.862 . . . . 0.0 109.802 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.67 -23.44 66.78 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -164.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -67.42 -13.55 62.13 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.173 1.389 . . . . 0.0 114.186 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -97.5 -5.39 36.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.946 1.698 . . . . 0.0 113.689 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.13 151.47 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.311 1.044 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.13 153.52 45.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.497 2.319 . . . . 0.0 110.46 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -78.53 158.78 28.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.457 1.123 . . . . 0.0 111.548 167.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -33.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.164 -0.96 . . . . 0.0 110.814 167.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.81 -40.06 63.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.977 1.311 . . . . 0.0 112.81 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -71.22 -26.15 62.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.216 -1.552 . . . . 0.0 112.791 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -80.44 -1.91 43.56 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.652 1.581 . . . . 0.0 113.477 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.54 26.81 72.89 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.368 0.985 . . . . 0.0 114.893 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.83 129.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 124.883 1.273 . . . . 0.0 108.709 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -101.19 -41.16 6.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.54 1.136 . . . . 0.0 112.237 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.3 p -157.89 160.21 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -124.08 139.33 54.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.76 1.624 . . . . 0.0 110.046 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -86.37 133.76 33.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.081 0.952 . . . . 0.0 111.159 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.44 -4.76 58.57 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.58 28.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.843 0.857 . . . . 0.0 112.494 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -145.34 166.5 25.39 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -127.08 144.07 51.12 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 128.642 2.777 . . . . 0.0 110.649 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -81.29 134.36 35.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.662 0.785 . . . . 0.0 111.312 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.61 -29.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 125.137 1.375 . . . . 0.0 113.744 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.2 m120 51.09 45.53 27.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.957 1.703 . . . . 0.0 114.002 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -103.24 128.13 50.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.657 1.983 . . . . 0.0 112.153 -163.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -79.16 124.6 28.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.353 1.461 . . . . 0.0 110.148 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.58 -24.16 12.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 116.18 157.44 11.12 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.518 1.056 . . . . 0.0 113.35 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 m120 58.82 30.61 20.29 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.423 1.889 . . . . 0.0 114.376 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.66 78.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 125.171 1.367 . . . . 0.0 116.002 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.79 144.77 40.54 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.031 1.416 . . . . 0.0 111.903 -170.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.3 m -138.87 126.58 22.06 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.95 0.9 . . . . 0.0 112.103 -169.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 35.5 tp -81.54 106.76 13.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.35 1.06 . . . . 0.0 110.18 172.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.22 -54.2 7.52 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 118.328 0.513 . . . . 0.0 111.89 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -135.65 152.54 51.32 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.558 1.143 . . . . 0.0 111.322 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -141.25 150.76 43.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.102 1.361 . . . . 0.0 112.399 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.33 -154.38 7.06 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 127.869 2.652 . . . . 0.0 110.985 168.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 49.9 m -133.66 151.88 51.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 119.082 1.441 . . . . 0.0 114.114 -176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -118.5 155.34 31.01 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.698 1.599 . . . . 0.0 110.413 171.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.2 m -116.14 134.4 54.98 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.04 1.336 . . . . 0.0 112.248 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -96.03 163.05 13.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.81 1.644 . . . . 0.0 113.102 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.8 p -60.03 -31.31 69.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.196 1.399 . . . . 0.0 113.317 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -76.54 0.12 21.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.21 -0.2 88.74 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 125.023 1.297 . . . . 0.0 116.331 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 47.5 p -78.3 163.31 25.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 119.011 1.405 . . . . 0.0 111.919 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.2 p -125.58 161.33 27.45 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.465 1.106 . . . . 0.0 112.852 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -148.0 168.16 23.03 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.758 1.223 . . . . 0.0 110.391 165.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -67.68 147.32 52.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -134.6 160.56 37.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.802 1.641 . . . . 0.0 109.072 163.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.31 172.04 42.29 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 120.995 -1.066 . . . . 0.0 115.644 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -90.08 105.35 17.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.167 1.387 . . . . 0.0 109.909 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.92 121.25 44.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 127.128 2.171 . . . . 0.0 110.312 -172.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.7 mt -75.97 128.89 36.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.504 1.122 . . . . 0.0 110.778 174.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.446 -0.654 0 C-N-CA 125.456 1.502 . . . . 0.0 111.619 -171.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo . . . . . 0 C--O 1.226 -0.123 0 N-CA-C 113.2 0.423 . . . . 0.0 113.2 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.75 136.32 56.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.884 0.874 . . . . 0.0 112.935 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.31 154.15 50.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.684 1.994 . . . . 0.0 112.065 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -116.58 141.63 47.95 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 110.594 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -77.29 105.05 8.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.506 1.122 . . . . 0.0 110.43 168.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -89.17 -41.44 12.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.081 -1.012 . . . . 0.0 113.651 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -86.23 -3.93 59.07 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 120.754 1.615 . . . . 0.0 114.143 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.92 31.34 26.55 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.551 165.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -124.15 17.06 9.18 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 119.903 1.851 . . . . 0.0 113.786 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.75 149.55 25.81 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 127.083 2.278 . . . . 0.0 113.531 -172.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 mt -69.16 131.4 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 121.879 -0.777 . . . . 0.0 109.95 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -119.39 158.53 25.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.659 1.584 . . . . 0.0 113.06 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -136.43 164.46 28.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.219 1.408 . . . . 0.0 112.397 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 CA--C 1.514 -0.431 0 C-N-CA 127.159 2.183 . . . . 0.0 111.786 -177.134 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 . . . . . 0 N--CA 1.445 -0.685 0 CA-C-O 121.403 0.621 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.7 142.63 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 121.254 -0.904 . . . . 0.0 111.294 170.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -59.83 150.06 29.45 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.542 1.137 . . . . 0.0 112.179 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.74 -19.82 66.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.47 -7.11 55.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.671 1.189 . . . . 0.0 113.759 173.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -119.51 -170.95 2.03 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 128.859 2.864 . . . . 0.0 111.77 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.01 160.46 33.95 Favored Glycine 0 N--CA 1.448 -0.538 0 O-C-N 121.155 -0.966 . . . . 0.0 115.075 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.7 mt -83.7 141.79 31.2 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.204 1.002 . . . . 0.0 111.514 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -76.8 128.35 34.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.62 -0.675 . . . . 0.0 109.545 166.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.68 162.16 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -143.65 116.64 8.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.714 1.206 . . . . 0.0 110.74 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -76.52 114.38 15.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.911 0.485 . . . . 0.0 110.306 171.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.41 -8.88 40.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 126.351 1.86 . . . . 0.0 114.347 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -126.83 -4.08 6.44 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.94 20.69 69.88 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -84.52 -0.02 51.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.05 -0.51 87.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 126.106 1.812 . . . . 0.0 115.094 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 pt -133.24 160.45 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 125.339 1.456 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.38 100.12 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.782 1.633 . . . . 0.0 108.552 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -143.6 3.26 1.28 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -167.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -119.4 150.51 40.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.898 1.679 . . . . 0.0 111.634 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.28 -30.26 70.62 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 125.073 1.321 . . . . 0.0 115.394 -171.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.34 -2.54 53.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.26 -9.34 57.85 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 124.834 1.254 . . . . 0.0 114.254 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.7 mt -97.78 151.64 19.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.631 1.572 . . . . 0.0 109.941 162.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -93.95 110.94 22.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.33 -0.857 . . . . 0.0 109.326 173.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.46 -156.44 9.93 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 124.205 0.907 . . . . 0.0 111.971 -175.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -71.37 160.11 33.36 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 122.13 0.967 . . . . 0.0 112.828 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.16 6.3 2.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 127.106 2.163 . . . . 0.0 116.131 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.0 m -62.55 129.87 42.56 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 119.849 -1.782 . . . . 0.0 109.21 160.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -84.28 142.38 30.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.109 -0.995 . . . . 0.0 111.166 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.6 mt -108.04 165.98 11.07 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 127.15 2.18 . . . . 0.0 111.986 -170.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.6 72.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -169.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -78.84 -7.26 57.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.997 1.319 . . . . 0.0 113.587 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.72 -1.74 61.82 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 126.198 1.856 . . . . 0.0 114.857 -173.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.6 m -72.38 171.4 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 119.668 1.734 . . . . 0.0 112.401 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.75 147.76 34.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.057 0.943 . . . . 0.0 111.987 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.23 134.79 50.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.172 1.389 . . . . 0.0 111.547 174.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -74.73 -31.33 61.8 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.312 1.445 . . . . 0.0 112.915 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -160.36 167.34 27.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.028 1.731 . . . . 0.0 111.632 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.11 -26.92 69.71 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 -173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.58 -37.97 74.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.982 1.391 . . . . 0.0 111.874 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.92 72.85 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 118.986 0.812 . . . . 0.0 112.611 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.26 71.84 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.4 tp -82.57 -34.8 27.61 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.191 1.396 . . . . 0.0 113.831 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.44 -20.91 61.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.79 -21.08 60.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.1 mt -94.71 3.47 55.01 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -170.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -79.25 123.62 27.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.513 1.506 . . . . 0.0 111.445 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 m -92.84 -14.54 27.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.765 2.026 . . . . 0.0 114.403 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -109.38 -21.56 12.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.22 46.5 20.94 Favored Glycine 0 C--O 1.225 -0.467 0 C-N-CA 123.921 0.772 . . . . 0.0 112.976 -172.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -124.24 1.87 8.49 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.473 1.509 . . . . 0.0 114.281 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 t30 60.02 24.92 14.12 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 127.67 2.388 . . . . 0.0 116.135 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.8 pt -134.38 157.97 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 125.523 1.529 . . . . 0.0 112.059 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.16 118.58 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.145 1.378 . . . . 0.0 110.024 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -158.98 175.52 13.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.712 1.605 . . . . 0.0 111.641 -167.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.0 -13.25 23.93 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.93 -12.48 60.97 Favored 'General case' 0 N--CA 1.445 -0.724 0 O-C-N 120.463 -1.398 . . . . 0.0 114.403 167.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -87.27 142.99 27.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.319 1.447 . . . . 0.0 114.316 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.52 78.02 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.112 1.365 . . . . 0.0 114.033 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 -16.14 44.56 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.16 -42.74 73.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -161.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -72.25 -7.75 51.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.783 -1.198 . . . . 0.0 113.894 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.8 m -96.75 -2.87 43.46 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 125.202 1.401 . . . . 0.0 113.386 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.85 147.56 41.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 119.536 1.062 . . . . 0.0 110.994 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -138.29 171.72 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.864 2.066 . . . . 0.0 110.702 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -123.82 128.7 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.321 1.448 . . . . 0.0 110.025 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -100.77 121.39 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.063 0.945 . . . . 0.0 111.601 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -115.79 99.09 7.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.703 1.601 . . . . 0.0 110.185 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -86.15 93.66 9.08 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.44 0.638 . . . . 0.0 109.62 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.4 mt -72.11 -25.86 61.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.54 1.136 . . . . 0.0 112.989 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.89 -9.62 59.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.998 1.319 . . . . 0.0 112.736 167.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 59.54 32.86 21.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.002 1.721 . . . . 0.0 113.122 169.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -88.82 -31.32 18.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 120.612 -1.305 . . . . 0.0 114.075 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.38 15.77 54.6 Favored Glycine 0 C--N 1.341 0.844 0 N-CA-C 115.414 0.926 . . . . 0.0 115.414 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -120.17 139.9 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.063 1.745 . . . . 0.0 108.229 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.8 t -94.75 132.72 39.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -165.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -117.56 147.37 42.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.485 1.914 . . . . 0.0 109.507 167.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.73 71.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -164.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -66.1 -20.85 66.29 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -79.45 -6.42 56.86 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 120.536 1.516 . . . . 0.0 113.583 -175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.58 135.9 33.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 110.741 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -107.55 150.55 26.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.236 2.614 . . . . 0.0 110.798 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -71.46 158.39 36.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.007 0.923 . . . . 0.0 111.661 161.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.89 -26.18 62.23 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.338 -0.851 . . . . 0.0 110.694 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.04 -48.57 67.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.145 1.378 . . . . 0.0 111.762 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -27.97 65.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.69 -1.256 . . . . 0.0 113.867 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -79.81 -17.14 54.05 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.171 1.388 . . . . 0.0 113.037 171.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.43 47.08 44.99 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.431 1.015 . . . . 0.0 113.411 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.14 125.44 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 127.305 2.242 . . . . 0.0 109.61 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -108.21 -47.97 3.44 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.493 1.117 . . . . 0.0 113.572 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.5 p -154.58 145.92 22.98 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.107 0.867 . . . . 0.0 112.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.93 137.34 51.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.222 1.409 . . . . 0.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -81.58 130.72 35.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.102 0.961 . . . . 0.0 111.126 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -82.53 -7.86 59.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 174.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -83.05 151.15 25.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.216 0.917 . . . . 0.0 112.335 170.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -147.72 166.79 26.41 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.56 1.144 . . . . 0.0 112.151 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -121.48 137.74 54.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.555 1.542 . . . . 0.0 109.155 162.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -75.19 136.73 41.0 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.001 0.521 . . . . 0.0 111.412 172.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.0 m -132.75 -24.65 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 46.08 46.93 12.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -87.74 123.03 32.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.061 1.344 . . . . 0.0 111.392 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -88.54 104.62 17.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.296 1.039 . . . . 0.0 109.876 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.05 10.53 37.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.442 1.497 . . . . 0.0 114.822 -168.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 74.21 175.79 33.84 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 120.664 -1.273 . . . . 0.0 113.816 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.5 m120 54.31 22.19 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.176 1.79 . . . . 0.0 115.116 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.08 13.76 68.25 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -109.85 138.13 46.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 118.914 1.357 . . . . 0.0 112.764 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.3 m -138.22 127.5 24.48 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.202 1.001 . . . . 0.0 111.005 173.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 55.3 tp -84.04 110.83 18.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 109.055 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.06 -50.59 11.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.865 0.466 . . . . 0.0 111.956 -177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.14 147.34 29.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.842 1.257 . . . . 0.0 112.411 -175.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -132.06 146.05 51.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 111.942 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.39 5.4 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 127.977 2.703 . . . . 0.0 110.965 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.5 m -133.96 163.25 29.95 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -135.07 156.47 48.98 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.84 1.656 . . . . 0.0 111.186 165.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.8 m -107.55 141.31 39.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 126.437 1.895 . . . . 0.0 110.217 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -97.5 161.29 13.85 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.084 1.754 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 51.7 p -68.04 -10.54 54.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -93.13 1.14 57.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 126.032 1.733 . . . . 0.0 114.801 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.03 -6.49 82.68 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 125.543 1.544 . . . . 0.0 116.094 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 57.0 p -77.7 166.52 22.87 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.147 1.474 . . . . 0.0 111.959 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 74.3 p -124.55 158.24 33.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.76 0.824 . . . . 0.0 113.075 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.37 163.3 36.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.252 1.421 . . . . 0.0 110.966 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -75.87 153.19 36.93 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.998 0.904 . . . . 0.0 113.345 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptm -142.45 161.39 38.17 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.93 1.692 . . . . 0.0 109.945 166.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.07 169.64 42.57 Favored Glycine 0 N--CA 1.443 -0.836 0 O-C-N 121.059 -1.026 . . . . 0.0 114.62 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -97.65 117.5 32.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.432 1.493 . . . . 0.0 110.258 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.57 128.66 54.72 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.014 0.926 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.15 116.88 21.91 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.753 1.621 . . . . 0.0 108.851 171.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.447 -0.624 0 C-N-CA 124.588 1.155 . . . . 0.0 110.948 -170.16 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo . . . . . 0 CA--C 1.53 0.275 0 N-CA-C 114.32 0.854 . . . . 0.0 114.32 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.68 126.3 29.27 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.369 1.068 . . . . 0.0 111.527 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.89 143.15 51.19 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.02 1.728 . . . . 0.0 112.002 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -115.81 137.11 52.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.029 2.532 . . . . 0.0 110.168 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.79 111.57 19.31 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.456 1.502 . . . . 0.0 109.448 166.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.68 -27.03 21.52 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -170.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -111.76 -17.87 12.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.89 55.3 1.77 Allowed Glycine 0 C--N 1.343 0.942 0 O-C-N 120.992 -1.068 . . . . 0.0 114.719 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -144.96 25.62 1.41 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 167.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.47 175.53 45.69 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 125.429 1.49 . . . . 0.0 113.44 -176.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mt -92.59 137.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 C-N-CA 125.298 1.439 . . . . 0.0 108.865 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -120.77 151.16 39.93 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.785 1.634 . . . . 0.0 110.298 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -133.27 165.84 23.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.854 -1.154 . . . . 0.0 112.666 -173.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 C--O 1.223 -0.326 0 C-N-CA 126.568 1.947 . . . . 0.0 110.645 175.67 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.78 151.5 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.97 -1.081 . . . . 0.0 112.167 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 p -64.53 158.25 24.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -14.08 39.93 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.707 -1.246 . . . . 0.0 114.269 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.27 -28.45 59.79 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.948 1.299 . . . . 0.0 113.636 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -109.11 143.61 38.25 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.602 1.561 . . . . 0.0 113.31 -168.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.32 127.32 8.86 Favored Glycine 0 C--N 1.337 0.591 0 O-C-N 121.493 -0.754 . . . . 0.0 113.91 -167.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.15 144.85 29.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.631 1.216 . . . . 0.0 111.04 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 tp -86.98 128.61 35.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 123.401 0.68 . . . . 0.0 111.484 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -143.21 164.43 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 125.088 1.355 . . . . 0.0 113.1 -176.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -152.28 113.01 4.15 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.294 1.838 . . . . 0.0 110.602 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -81.68 113.98 20.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.906 0.882 . . . . 0.0 110.816 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.6 -13.32 62.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -102.13 -9.54 20.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.848 1.659 . . . . 0.0 113.398 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.94 85.87 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.241 0.924 . . . . 0.0 115.085 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -110.01 -7.23 14.97 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 118.652 1.226 . . . . 0.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.74 39.38 Favored Glycine 0 C--N 1.341 0.821 0 C-N-CA 126.026 1.774 . . . . 0.0 115.81 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.3 mm -126.02 124.68 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 118.775 1.287 . . . . 0.0 111.503 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.84 101.56 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.278 1.831 . . . . 0.0 108.37 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.35 -15.78 2.17 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.43 154.03 22.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.965 1.306 . . . . 0.0 114.064 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.94 -18.83 34.81 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 126.22 1.867 . . . . 0.0 116.99 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.91 -9.42 58.73 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.715 1.758 . . . . 0.0 114.847 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.74 -22.12 17.16 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -160.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.78 134.54 44.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.542 1.537 . . . . 0.0 109.556 167.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.65 123.71 32.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.217 0.607 . . . . 0.0 111.426 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.18 -158.11 25.43 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 125.941 1.734 . . . . 0.0 111.97 -175.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -70.4 143.03 51.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.441 1.115 . . . . 0.0 112.557 169.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.12 20.9 8.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.151 2.18 . . . . 0.0 115.051 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.5 m -62.62 133.22 54.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.854 -1.154 . . . . 0.0 109.999 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -83.76 140.78 31.87 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.51 172.14 6.99 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 127.555 2.342 . . . . 0.0 112.774 -172.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.52 63.69 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -103.21 11.14 37.3 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.036 1.334 . . . . 0.0 112.876 171.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.04 -3.87 84.64 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 125.803 1.668 . . . . 0.0 115.523 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -67.44 154.93 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.893 1.846 . . . . 0.0 112.103 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -99.88 129.79 46.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 123.932 0.893 . . . . 0.0 111.867 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.35 135.36 44.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.448 1.099 . . . . 0.0 112.135 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -74.21 -26.1 60.06 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -174.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -155.82 169.92 23.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.361 2.264 . . . . 0.0 110.899 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.62 -29.91 76.46 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 115.579 0.992 . . . . 0.0 115.579 -172.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.79 -32.41 67.6 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 118.413 1.106 . . . . 0.0 112.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.93 69.57 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 118.549 0.613 . . . . 0.0 111.902 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.83 81.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.736 0.814 . . . . 0.0 112.989 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.2 tp -84.95 -32.63 22.94 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.431 1.093 . . . . 0.0 113.596 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -19.23 63.75 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -64.53 -18.52 64.9 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 mt -96.23 5.88 50.03 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.58 120.96 21.71 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 121.213 -0.929 . . . . 0.0 110.313 165.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -87.94 -33.47 18.45 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -109.18 -19.17 13.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.306 1.443 . . . . 0.0 114.834 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.49 71.57 1.31 Allowed Glycine 0 C--O 1.224 -0.502 0 CA-C-N 119.394 0.997 . . . . 0.0 112.729 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -132.02 4.44 4.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.542 1.537 . . . . 0.0 113.331 172.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.8 t30 61.37 22.41 12.8 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.622 2.369 . . . . 0.0 114.836 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 pt -131.74 150.24 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 124.739 1.216 . . . . 0.0 111.588 171.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.2 mm -98.12 110.45 25.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 172.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -143.28 169.14 18.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.688 1.595 . . . . 0.0 111.935 -170.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.48 -16.08 33.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -168.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.67 -14.55 58.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.18 149.85 40.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 120.196 1.362 . . . . 0.0 113.577 171.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.36 69.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.1 -17.55 32.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -54.42 -47.95 72.21 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 120.31 1.414 . . . . 0.0 113.78 -167.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.86 -11.32 60.55 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 124.135 0.974 . . . . 0.0 113.229 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.0 m -85.23 -26.42 26.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.217 1.407 . . . . 0.0 113.696 172.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.94 149.34 47.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 121.268 -0.895 . . . . 0.0 112.325 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -135.52 156.71 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.887 1.275 . . . . 0.0 111.634 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -110.97 137.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.439 1.496 . . . . 0.0 109.273 171.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -128.58 127.21 41.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.469 1.508 . . . . 0.0 113.377 -164.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -125.61 133.76 52.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.365 1.466 . . . . 0.0 112.147 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -79.21 67.24 4.88 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.648 1.113 . . . . 0.0 113.478 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.08 -36.1 76.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.345 -1.472 . . . . 0.0 112.339 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -85.3 -8.3 58.56 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.638 1.175 . . . . 0.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 55.18 56.31 6.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.745 1.618 . . . . 0.0 113.241 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -153.42 147.84 25.99 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 127.205 2.202 . . . . 0.0 111.988 172.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.08 -13.54 57.74 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 120.254 -1.529 . . . . 0.0 116.356 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -80.47 153.47 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.476 1.51 . . . . 0.0 112.563 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.49 145.94 52.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.379 1.471 . . . . 0.0 113.385 170.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -137.5 149.58 46.89 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.724 2.01 . . . . 0.0 109.269 157.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.28 97.12 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 120.195 -1.565 . . . . 0.0 114.726 -168.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -68.14 -8.12 35.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.949 1.3 . . . . 0.0 114.289 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -77.84 -13.8 59.77 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.6 154.95 19.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.184 1.394 . . . . 0.0 112.491 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -139.38 145.37 38.87 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 127.458 2.303 . . . . 0.0 110.055 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -70.1 165.68 21.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.801 0.841 . . . . 0.0 111.72 162.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 97.8 mt -74.54 -35.46 63.12 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.467 -0.771 . . . . 0.0 110.954 170.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.49 -37.82 83.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.33 -24.79 62.18 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.792 1.178 . . . . 0.0 113.231 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.7 -7.76 59.63 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.019 1.328 . . . . 0.0 113.543 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.22 36.73 59.87 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 119.194 0.906 . . . . 0.0 113.061 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.1 mt -90.63 135.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.89 1.345 . . . . 0.0 110.457 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -97.26 -45.56 6.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.929 1.691 . . . . 0.0 111.912 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.6 p -163.09 161.52 25.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.486 0.715 . . . . 0.0 112.209 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mp -114.24 138.37 50.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.055 1.342 . . . . 0.0 109.666 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -85.87 126.67 34.24 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.321 1.049 . . . . 0.0 111.182 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.74 -12.73 60.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.86 139.13 41.53 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 119.43 1.014 . . . . 0.0 112.251 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -142.85 165.92 26.06 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 124.492 1.117 . . . . 0.0 111.751 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 109.687 165.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.69 126.1 29.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 169.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.39 -31.26 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 43.84 61.74 2.19 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.439 1.895 . . . . 0.0 113.657 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -106.64 137.76 44.06 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.127 2.171 . . . . 0.0 112.531 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.56 137.62 42.5 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.988 0.915 . . . . 0.0 111.535 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.41 5.14 34.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.314 1.446 . . . . 0.0 113.532 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.91 -175.48 27.29 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 121.362 -0.836 . . . . 0.0 111.905 -155.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 54.87 18.83 2.34 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.402 1.481 . . . . 0.0 114.863 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.9 8.3 72.8 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 124.905 1.24 . . . . 0.0 115.367 -174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -102.97 155.53 18.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.274 1.537 . . . . 0.0 112.284 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 m -130.93 136.42 48.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.2 tp -89.3 108.47 19.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.035 1.334 . . . . 0.0 108.409 162.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.46 -49.5 11.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 117.863 0.302 . . . . 0.0 111.659 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -134.97 134.68 40.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.208 1.403 . . . . 0.0 110.288 -171.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -125.47 139.95 53.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.139 0.976 . . . . 0.0 111.862 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.75 -148.71 5.06 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 126.634 2.064 . . . . 0.0 112.213 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.2 p -148.38 167.59 24.85 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -130.64 161.97 30.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.988 1.315 . . . . 0.0 110.045 162.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 97.7 m -116.38 136.26 53.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.4 1.48 . . . . 0.0 110.946 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.71 156.26 16.64 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.401 1.88 . . . . 0.0 111.493 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 35.4 p -62.65 -23.4 67.07 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -73.54 4.74 4.51 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.946 1.698 . . . . 0.0 115.402 171.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.83 14.13 82.69 Favored Glycine 0 N--CA 1.446 -0.685 0 O-C-N 120.834 -1.166 . . . . 0.0 114.817 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 24.9 p -98.49 158.83 15.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.886 1.343 . . . . 0.0 112.285 173.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 m -106.64 150.8 25.85 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.762 1.225 . . . . 0.0 110.39 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -142.1 158.24 43.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 126.617 1.967 . . . . 0.0 111.469 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.87 144.22 28.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.951 -1.093 . . . . 0.0 113.317 -169.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.9 ptm -151.12 166.33 31.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.234 1.014 . . . . 0.0 112.209 163.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.02 170.86 44.03 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 123.175 0.417 . . . . 0.0 113.557 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -95.14 124.36 39.14 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.658 1.183 . . . . 0.0 110.557 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.64 150.34 26.32 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.74 1.216 . . . . 0.0 111.598 -175.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.0 mt -103.47 115.53 30.7 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.243 1.817 . . . . 0.0 106.801 166.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.449 -0.476 0 C-N-CA 124.306 1.042 . . . . 0.0 108.659 -171.256 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo . . . . . 0 N--CA 1.48 0.694 0 N-CA-C 112.948 0.326 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.38 131.5 46.61 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.133 0.573 . . . . 0.0 112.106 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.85 147.8 50.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.49 1.916 . . . . 0.0 112.42 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.6 142.23 46.23 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 126.639 1.976 . . . . 0.0 110.162 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -88.09 108.4 19.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.217 1.407 . . . . 0.0 110.95 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.06 -35.87 15.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -172.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -95.34 -10.49 29.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 120.716 1.598 . . . . 0.0 114.661 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.54 49.88 2.87 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 115.733 1.053 . . . . 0.0 115.733 168.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -144.57 19.06 1.68 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.984 1.392 . . . . 0.0 114.028 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 170.83 45.62 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 125.67 1.605 . . . . 0.0 113.271 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.9 mm -76.47 132.84 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 121.175 -1.191 . . . . 0.0 110.82 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -119.82 144.45 47.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.014 1.726 . . . . 0.0 112.434 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -129.35 144.87 51.41 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.752 1.221 . . . . 0.0 112.015 168.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.452 -0.34 0 C-N-CA 125.287 1.435 . . . . 0.0 111.495 -176.124 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.22 125.06 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.601 1.56 . . . . 0.0 110.244 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 t -61.13 152.55 28.14 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.196 1.399 . . . . 0.0 112.177 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -10.92 12.48 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.56 -24.17 67.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 165.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -132.65 175.57 9.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.931 2.492 . . . . 0.0 112.054 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.03 151.4 23.29 Favored Glycine 0 N--CA 1.448 -0.528 0 O-C-N 121.284 -0.885 . . . . 0.0 115.111 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.39 137.16 33.55 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.2 1.4 . . . . 0.0 110.42 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.1 tp -74.9 129.35 37.52 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 123.846 0.859 . . . . 0.0 109.687 169.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 m -147.2 165.04 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 124.143 0.977 . . . . 0.0 113.541 -168.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -138.11 131.69 30.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.526 1.93 . . . . 0.0 109.381 166.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -85.03 89.58 7.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.448 -0.783 . . . . 0.0 110.093 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -77.28 0.18 23.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 125.711 1.604 . . . . 0.0 115.142 -168.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -125.17 -3.87 7.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.35 1.46 . . . . 0.0 114.613 167.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.07 18.53 76.53 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 115.765 1.066 . . . . 0.0 115.765 175.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -74.58 -3.76 32.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.499 1.65 . . . . 0.0 115.134 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 -6.69 59.1 Favored Glycine 0 C--N 1.342 0.898 0 C-N-CA 127.257 2.36 . . . . 0.0 115.398 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 pt -137.38 160.72 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 125.554 1.541 . . . . 0.0 112.562 -171.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.1 106.96 20.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 C-N-CA 124.35 1.06 . . . . 0.0 109.183 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.16 -13.66 1.83 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -169.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.62 153.82 22.34 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.693 1.197 . . . . 0.0 112.933 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.44 -30.28 75.87 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 115.898 1.119 . . . . 0.0 115.898 -176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.47 -2.36 57.14 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 119.052 1.426 . . . . 0.0 114.039 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -82.29 -23.45 35.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.601 1.091 . . . . 0.0 112.846 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.24 153.3 21.59 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 125.484 1.514 . . . . 0.0 110.065 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -85.48 115.02 22.96 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.642 -1.286 . . . . 0.0 111.199 172.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.39 -160.95 34.39 Favored Glycine 0 C--O 1.221 -0.687 0 C-N-CA 124.193 0.901 . . . . 0.0 113.902 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -71.23 -5.63 33.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -170.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -92.66 4.32 53.9 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.764 1.225 . . . . 0.0 112.54 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -92.67 141.57 28.33 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.151 1.38 . . . . 0.0 110.536 172.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.48 138.7 33.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.551 1.141 . . . . 0.0 112.636 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.36 176.88 9.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.08 2.152 . . . . 0.0 111.572 173.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.09 66.15 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -93.9 -0.19 55.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 121.111 1.778 . . . . 0.0 113.543 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.65 -4.14 68.85 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.439 1.971 . . . . 0.0 114.723 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -70.19 142.85 52.39 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 119.658 1.729 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -72.12 139.31 48.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.031 -1.043 . . . . 0.0 112.036 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.77 148.91 51.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.44 -32.49 62.65 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.405 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -159.99 165.71 31.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.097 1.359 . . . . 0.0 112.013 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.84 -32.38 79.24 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 125.906 1.717 . . . . 0.0 114.081 -174.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -70.38 -41.51 72.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.637 1.218 . . . . 0.0 111.839 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.43 86.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.113 0.869 . . . . 0.0 111.996 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.81 -35.97 81.29 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -80.77 -36.44 31.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.267 1.027 . . . . 0.0 113.028 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.56 -20.58 63.43 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.711 1.204 . . . . 0.0 114.168 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -51.81 -27.37 12.2 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.939 1.296 . . . . 0.0 113.747 168.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.6 -2.74 40.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.636 1.574 . . . . 0.0 114.422 -169.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.34 115.59 11.77 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 121.204 1.82 . . . . 0.0 110.021 168.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.9 m -80.52 -18.91 47.07 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 113.406 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.28 -21.86 11.66 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -161.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.2 39.17 37.57 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 119.097 0.862 . . . . 0.0 113.676 -169.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -116.26 6.63 13.85 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.408 1.483 . . . . 0.0 114.225 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 60.43 17.59 7.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.924 2.09 . . . . 0.0 114.573 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.7 pt -131.95 151.1 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.629 1.171 . . . . 0.0 112.808 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.33 115.85 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.695 1.598 . . . . 0.0 108.331 167.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -151.06 173.23 14.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.288 1.835 . . . . 0.0 111.255 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.69 10.79 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -175.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.1 -22.47 63.02 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 120.914 -1.116 . . . . 0.0 113.766 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -77.38 135.56 38.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.698 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.56 66.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.892 1.277 . . . . 0.0 113.704 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.34 -15.94 48.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.46 -35.31 65.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -161.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -82.25 -2.19 51.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.4 p -79.71 -23.68 42.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 120.928 -1.108 . . . . 0.0 113.858 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.03 142.45 52.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.903 1.281 . . . . 0.0 112.209 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -141.35 172.08 13.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.896 2.078 . . . . 0.0 110.441 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.74 140.3 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.12 1.768 . . . . 0.0 110.321 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -116.61 121.01 40.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.454 1.502 . . . . 0.0 110.952 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -117.06 101.92 8.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.914 1.686 . . . . 0.0 109.93 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -77.16 122.57 25.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 118.521 0.601 . . . . 0.0 111.199 -174.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.2 mt -89.08 -17.05 30.07 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -168.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -113.67 -4.42 13.44 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.525 1.53 . . . . 0.0 114.314 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 56.73 48.34 16.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.707 2.003 . . . . 0.0 113.942 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -96.16 -15.56 22.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.665 -1.272 . . . . 0.0 113.908 165.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.76 69.95 Favored Glycine 0 N--CA 1.449 -0.473 0 O-C-N 121.479 -0.763 . . . . 0.0 112.489 -173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.2 mt -121.03 116.11 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.718 1.607 . . . . 0.0 106.982 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -83.23 140.39 32.56 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -164.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -128.46 154.03 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.292 2.237 . . . . 0.0 109.852 167.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.09 72.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -67.36 -12.21 59.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -90.75 -5.93 55.05 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.322 1.449 . . . . 0.0 113.344 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.68 154.07 19.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -142.17 155.76 45.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.611 1.964 . . . . 0.0 110.944 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 59.4 p -80.05 161.56 25.32 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.456 1.502 . . . . 0.0 111.857 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.71 -35.61 72.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.015 0.526 . . . . 0.0 111.448 171.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.69 -44.52 96.04 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.235 1.014 . . . . 0.0 113.19 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.91 -16.9 62.13 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.605 -1.31 . . . . 0.0 114.246 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -94.15 -10.69 32.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.831 1.653 . . . . 0.0 113.151 173.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.8 32.68 56.77 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.2 0.905 . . . . 0.0 114.6 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.7 mt -87.1 128.13 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 124.622 1.169 . . . . 0.0 109.942 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -101.12 -46.03 5.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.154 1.381 . . . . 0.0 112.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.4 p -161.03 161.98 31.6 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.726 0.811 . . . . 0.0 112.589 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mp -119.25 138.15 53.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.934 1.693 . . . . 0.0 109.658 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.61 150.45 24.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -102.0 -3.76 27.18 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -94.23 148.3 22.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.501 1.12 . . . . 0.0 112.283 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.85 169.41 20.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -170.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -132.4 143.05 49.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.795 2.438 . . . . 0.0 110.953 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -74.99 127.86 34.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.259 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.0 p -141.96 -24.91 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 54.09 38.38 28.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 165.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -70.88 127.87 34.09 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.715 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -74.4 124.61 26.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.803 0.841 . . . . 0.0 109.262 165.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.6 mt -111.65 12.44 21.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.88 170.16 28.84 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-O 122.191 0.884 . . . . 0.0 113.921 -174.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 51.16 28.05 3.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.45 1.9 . . . . 0.0 114.512 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.85 1.84 85.11 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.476 1.512 . . . . 0.0 115.549 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -87.54 147.17 25.46 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.039 1.419 . . . . 0.0 111.733 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 61.0 m -142.0 129.51 21.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.83 1.252 . . . . 0.0 110.744 -174.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.2 tt -95.54 113.55 25.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.282 1.033 . . . . 0.0 109.331 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.53 -55.72 4.99 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.665 0.786 . . . . 0.0 112.334 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -131.69 144.79 51.26 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.181 1.393 . . . . 0.0 111.675 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.87 149.75 52.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.196 0.999 . . . . 0.0 112.566 -171.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.06 -162.09 11.49 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 126.571 2.034 . . . . 0.0 112.582 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 77.9 p -112.42 159.28 18.89 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -138.35 160.11 40.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.736 1.614 . . . . 0.0 110.602 162.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.7 m -118.92 143.69 46.86 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 125.708 1.603 . . . . 0.0 111.073 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -101.98 167.8 9.81 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.285 1.834 . . . . 0.0 112.436 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.1 p -67.19 -22.62 65.72 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -78.98 -0.05 29.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 167.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.61 87.98 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 125.617 1.579 . . . . 0.0 115.937 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 56.3 p -72.87 156.11 39.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 119.567 1.683 . . . . 0.0 112.03 172.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 20.5 p -116.95 154.45 30.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 122.069 0.938 . . . . 0.0 113.122 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.15 172.8 12.89 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.152 2.181 . . . . 0.0 110.853 -165.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -100.19 146.26 27.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.083 1.353 . . . . 0.0 113.684 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.7 ptm -146.8 163.15 36.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 125.411 1.484 . . . . 0.0 110.868 168.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.35 170.29 42.5 Favored Glycine 0 C--N 1.331 0.267 0 O-C-N 121.182 -0.949 . . . . 0.0 114.271 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -98.18 132.61 43.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.428 1.091 . . . . 0.0 111.67 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.25 136.04 50.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.202 1.001 . . . . 0.0 111.743 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 80.4 mt -84.28 109.01 17.46 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.469 1.507 . . . . 0.0 107.184 156.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.451 -0.401 0 C-N-CA 123.802 0.841 . . . . 0.0 110.781 -179.157 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.336 0 N-CA-C 113.262 0.447 . . . . 0.0 113.262 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.29 133.11 47.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.52 154.15 49.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.515 1.926 . . . . 0.0 112.871 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -119.87 138.33 53.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.365 1.866 . . . . 0.0 110.636 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -78.96 115.11 18.44 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.214 1.006 . . . . 0.0 110.159 167.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.17 -33.85 18.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -105.78 -16.96 14.53 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.615 1.566 . . . . 0.0 113.803 -175.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 48.33 2.91 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 120.134 1.334 . . . . 0.0 115.221 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -137.88 9.31 2.81 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 155.74 11.17 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 125.817 1.675 . . . . 0.0 113.064 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.9 mt -77.79 109.1 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.68 139.17 31.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.249 1.02 . . . . 0.0 112.386 -171.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -133.55 164.44 27.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.981 1.312 . . . . 0.0 112.928 -173.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.45 -0.452 0 C-N-CA 125.462 1.505 . . . . 0.0 110.508 -179.356 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 . . . . . 0 N--CA 1.443 -0.782 0 CA-C-O 120.916 0.389 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.42 136.62 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 124.52 1.128 . . . . 0.0 110.052 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -58.71 153.11 17.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.849 -1.157 . . . . 0.0 111.813 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.28 -11.9 4.77 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.62 -41.84 87.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.128 1.371 . . . . 0.0 113.161 170.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -117.26 -169.93 1.75 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.073 2.149 . . . . 0.0 112.61 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.09 159.35 28.3 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -92.11 139.2 30.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 127.238 2.215 . . . . 0.0 110.162 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.6 tp -75.35 135.46 40.85 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 121.189 -0.945 . . . . 0.0 110.778 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.32 159.26 15.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 125.015 1.326 . . . . 0.0 113.368 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -145.85 131.52 18.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 126.22 1.808 . . . . 0.0 109.837 169.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.94 130.95 35.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 118.911 0.778 . . . . 0.0 112.418 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.16 -6.95 22.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.586 1.555 . . . . 0.0 114.339 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -136.84 -5.37 1.93 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.91 22.26 69.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-O 118.575 -1.125 . . . . 0.0 115.805 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -91.34 5.57 48.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.15 74.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.9 pt -129.68 144.46 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 126.458 1.903 . . . . 0.0 110.356 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -82.14 110.31 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 170.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -146.98 -20.07 0.4 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.426 1.491 . . . . 0.0 114.966 -172.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -85.55 9.04 17.08 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.759 -1.213 . . . . 0.0 114.261 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.88 -66.68 1.75 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 125.611 1.577 . . . . 0.0 114.407 173.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 7.54 0.68 Allowed 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.101 1.76 . . . . 0.0 114.817 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -72.11 -23.6 61.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 125.826 1.651 . . . . 0.0 111.633 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.62 157.41 28.7 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.539 1.936 . . . . 0.0 110.195 163.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 88.5 m-85 -96.79 106.9 19.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.844 -1.16 . . . . 0.0 111.031 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.21 -161.68 24.61 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 125.337 1.446 . . . . 0.0 113.482 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -70.01 -13.52 62.27 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -171.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.11 -8.38 56.88 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 120.834 -1.166 . . . . 0.0 113.729 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -78.02 140.82 39.17 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 120.181 1.355 . . . . 0.0 112.647 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.0 142.86 27.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.569 1.147 . . . . 0.0 112.141 167.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.27 179.38 6.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 126.772 2.029 . . . . 0.0 110.889 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.41 41.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 116.62 2.081 . . . . 0.0 116.62 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 p30 -91.58 -5.76 53.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.574 1.079 . . . . 0.0 113.856 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.35 77.48 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.159 1.361 . . . . 0.0 115.79 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.2 p -72.75 152.22 41.73 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 119.017 1.408 . . . . 0.0 111.273 167.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -77.47 145.97 36.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 120.814 -1.179 . . . . 0.0 112.341 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 152.18 43.88 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.017 1.727 . . . . 0.0 112.007 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -76.53 -39.78 51.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 123.919 0.888 . . . . 0.0 112.383 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -159.04 168.45 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.692 1.597 . . . . 0.0 112.43 -167.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.8 -31.86 81.75 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.027 1.299 . . . . 0.0 114.352 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -70.22 -32.02 69.7 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.27 1.535 . . . . 0.0 112.83 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.55 -40.5 66.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 118.723 0.692 . . . . 0.0 111.924 170.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.6 99.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.274 1.03 . . . . 0.0 112.753 176.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.61 -33.38 64.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.687 0.795 . . . . 0.0 112.716 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -21.26 65.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.97 -15.98 47.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -96.9 -5.29 38.42 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.392 1.477 . . . . 0.0 114.893 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -74.96 110.76 9.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 119.354 0.979 . . . . 0.0 110.275 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.8 p -77.75 -36.81 50.29 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -168.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -107.34 -17.6 14.09 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -168.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.13 14.31 54.67 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.4 p30 -74.86 -7.29 53.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.267 1.533 . . . . 0.0 113.379 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.279 8.6 t30 57.25 36.74 27.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.706 2.402 . . . . 0.0 115.714 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.1 pt -131.89 155.68 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.757 1.623 . . . . 0.0 110.311 160.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.7 mm -100.94 112.35 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -142.82 170.37 15.82 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.709 1.604 . . . . 0.0 111.303 -171.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.87 -15.56 55.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.73 57.54 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 120.044 1.293 . . . . 0.0 113.556 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -67.78 125.89 27.68 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 119.828 1.195 . . . . 0.0 112.131 171.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.71 69.41 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -170.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -17.45 62.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.53 -27.21 66.0 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.451 -1.405 . . . . 0.0 114.165 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -75.6 -24.65 56.56 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.749 -1.22 . . . . 0.0 113.866 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.4 m -88.3 -13.81 39.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.816 1.246 . . . . 0.0 114.021 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.57 144.24 57.35 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 119.591 1.087 . . . . 0.0 111.5 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -141.17 166.0 25.99 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 127.283 2.233 . . . . 0.0 110.128 171.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.44 124.33 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 124.525 1.13 . . . . 0.0 109.125 171.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -95.3 120.93 36.38 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.669 1.187 . . . . 0.0 110.912 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.81 97.7 6.41 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.757 1.623 . . . . 0.0 108.206 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -81.63 114.79 20.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.291 0.567 . . . . 0.0 110.298 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.05 -4.43 41.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.569 1.147 . . . . 0.0 113.463 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -113.49 -13.04 12.85 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.458 1.903 . . . . 0.0 113.106 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 52.13 23.79 2.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.159 1.784 . . . . 0.0 114.268 -159.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -81.02 -29.75 35.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.629 -1.294 . . . . 0.0 113.835 -172.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.69 20.54 47.1 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-O 118.409 -1.217 . . . . 0.0 113.941 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.15 112.07 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.787 1.635 . . . . 0.0 107.07 167.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.7 p -80.53 148.91 30.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.606 1.548 . . . . 0.0 113.708 -172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -128.39 158.25 38.78 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.835 1.654 . . . . 0.0 111.028 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.29 71.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -77.33 -8.79 58.23 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.619 1.968 . . . . 0.0 114.481 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -91.85 -19.46 22.49 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.321 1.448 . . . . 0.0 112.977 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.65 111.02 23.34 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.094 1.358 . . . . 0.0 109.461 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -108.27 157.17 18.58 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.765 2.026 . . . . 0.0 112.443 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 71.3 p -82.83 163.34 21.25 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.29 -39.27 78.42 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.304 0.642 . . . . 0.0 111.81 169.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.46 -29.39 64.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.74 -18.81 56.13 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.619 1.1 . . . . 0.0 113.346 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.2 mt -90.57 -0.07 57.54 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.367 1.467 . . . . 0.0 112.67 168.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.06 23.71 76.97 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.736 1.16 . . . . 0.0 114.414 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.4 mt -81.43 133.99 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 119.441 1.62 . . . . 0.0 110.917 -172.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -108.44 -42.09 4.67 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.436 1.494 . . . . 0.0 112.929 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.7 p -158.23 163.36 37.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 119.115 0.871 . . . . 0.0 112.718 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.66 136.24 54.02 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 125.754 1.622 . . . . 0.0 108.782 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -86.61 142.05 28.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.093 0.957 . . . . 0.0 111.267 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -94.18 -7.58 41.86 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.72 143.42 36.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.397 0.999 . . . . 0.0 111.77 170.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -150.05 169.77 20.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.553 1.141 . . . . 0.0 112.512 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -113.07 138.9 49.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.642 1.977 . . . . 0.0 108.929 164.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.16 124.92 28.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 165.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.55 -26.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 45.94 41.71 8.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.658 1.983 . . . . 0.0 114.969 170.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -75.74 128.31 34.91 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.836 1.654 . . . . 0.0 111.41 -174.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.99 144.21 48.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.67 0.788 . . . . 0.0 110.645 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 68.0 mt -115.75 4.85 14.07 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.02 1.328 . . . . 0.0 113.568 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 73.44 13.99 79.67 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 125.893 1.711 . . . . 0.0 116.649 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -141.61 2.39 1.61 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -174.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.44 31.78 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 125.691 1.615 . . . . 0.0 114.856 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -89.4 154.12 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.345 1.572 . . . . 0.0 112.053 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.5 m -134.16 129.41 35.81 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.39 1.076 . . . . 0.0 110.297 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.97 101.61 13.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.048 0.939 . . . . 0.0 109.453 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.97 -52.38 13.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.954 0.901 . . . . 0.0 112.764 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -133.82 137.3 45.0 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.925 1.69 . . . . 0.0 109.999 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -130.59 138.18 50.01 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.28 1.032 . . . . 0.0 112.581 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.43 -154.35 6.16 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 126.946 2.213 . . . . 0.0 111.324 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.1 m -131.54 161.39 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.953 0.901 . . . . 0.0 113.217 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.38 159.48 30.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.067 1.747 . . . . 0.0 109.838 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.0 m -112.42 132.71 54.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.839 1.256 . . . . 0.0 111.161 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.56 160.42 15.42 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.515 1.526 . . . . 0.0 112.115 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -63.05 -16.35 59.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -77.9 -2.28 35.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 169.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.24 -3.88 86.47 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.244 1.878 . . . . 0.0 115.256 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 18.8 m -85.97 152.5 22.88 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.52 1.528 . . . . 0.0 110.938 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.2 p -111.77 140.45 46.4 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.952 1.301 . . . . 0.0 112.943 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -131.89 161.54 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.361 1.864 . . . . 0.0 110.96 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.3 141.52 33.99 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.394 1.078 . . . . 0.0 113.144 -167.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -145.98 163.65 34.52 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.722 0.809 . . . . 0.0 111.643 167.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.97 178.79 48.91 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 121.223 -0.513 . . . . 0.0 114.258 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.48 121.16 41.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.08 1.352 . . . . 0.0 110.847 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.6 123.67 46.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.369 1.468 . . . . 0.0 111.493 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.2 mt -78.48 125.94 30.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 159.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.323 -0.552 0 C-N-CA 123.511 0.724 . . . . 0.0 111.65 -169.573 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.286 0 CA-C-O 118.876 -0.552 . . . . 0.0 112.387 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.27 127.14 30.04 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 119.183 0.901 . . . . 0.0 112.366 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.43 149.06 52.28 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.875 2.47 . . . . 0.0 111.888 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -119.46 138.63 53.01 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.521 1.928 . . . . 0.0 110.867 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -81.39 98.86 8.4 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 109.652 166.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.85 -30.8 17.67 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -170.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -96.97 -10.88 25.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.87 44.97 3.74 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 164.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -142.95 17.62 1.95 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.29 158.61 16.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 126.93 2.205 . . . . 0.0 114.715 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -72.79 126.45 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -147.36 158.34 43.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.263 1.025 . . . . 0.0 113.12 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 p -143.33 165.11 28.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.519 -0.247 0 C-N-CA 126.024 1.73 . . . . 0.0 112.1 172.135 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.0 153.73 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 124.544 1.138 . . . . 0.0 112.631 166.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.84 151.72 10.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.909 -0.494 . . . . 0.0 111.994 166.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.21 66.0 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.129 -0.982 . . . . 0.0 113.178 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -81.53 -2.24 49.13 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -106.98 -170.87 1.78 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.722 2.009 . . . . 0.0 111.145 166.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.82 164.91 37.71 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 115.492 0.957 . . . . 0.0 115.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.78 140.8 35.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.173 1.389 . . . . 0.0 111.033 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.25 128.63 34.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.381 0.672 . . . . 0.0 110.183 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.09 167.35 4.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 124.585 1.154 . . . . 0.0 113.567 -170.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.93 146.22 22.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.207 1.803 . . . . 0.0 111.039 166.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -77.66 130.6 37.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.431 0.692 . . . . 0.0 111.481 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.21 -7.56 18.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.022 1.729 . . . . 0.0 114.783 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.26 10.48 4.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -172.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.08 18.28 78.76 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 116.817 1.487 . . . . 0.0 116.817 170.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -99.83 -1.11 38.35 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.01 -5.22 50.55 Favored Glycine 0 C--O 1.222 -0.596 0 C-N-CA 126.48 1.991 . . . . 0.0 116.965 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 pt -123.03 165.7 18.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 C-N-CA 125.439 1.495 . . . . 0.0 111.609 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.58 120.1 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.686 1.195 . . . . 0.0 109.944 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -151.44 -20.74 0.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -97.94 148.4 23.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.85 1.205 . . . . 0.0 111.232 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.89 -28.98 69.38 Favored Glycine 0 C--N 1.339 0.728 0 O-C-N 120.705 -1.247 . . . . 0.0 115.024 -173.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.97 -8.12 59.17 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.32 -21.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.665 1.186 . . . . 0.0 113.201 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.6 mt -76.72 154.53 34.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.092 1.357 . . . . 0.0 109.611 161.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.4 m-85 -88.76 112.21 22.91 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.452 -1.405 . . . . 0.0 110.906 174.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.24 -165.74 32.97 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.937 1.256 . . . . 0.0 112.279 -175.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -78.55 17.44 0.68 Allowed 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -105.11 -10.89 16.86 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.127 1.371 . . . . 0.0 112.546 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 m -71.95 136.92 47.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.542 1.537 . . . . 0.0 110.352 169.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -88.77 144.65 26.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.611 1.164 . . . . 0.0 111.917 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.74 169.64 17.46 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.842 2.057 . . . . 0.0 109.708 164.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -24.2 66.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.72 -9.58 59.79 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.78 -7.7 63.21 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.79 1.662 . . . . 0.0 116.707 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.9 p -75.55 159.44 31.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 119.362 1.581 . . . . 0.0 112.254 168.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -78.67 148.7 33.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.591 -1.318 . . . . 0.0 112.667 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 151.11 47.45 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.681 1.193 . . . . 0.0 111.977 170.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -69.02 -35.58 76.8 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 177.62 9.31 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.357 1.863 . . . . 0.0 111.566 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.97 90.5 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 125.403 1.478 . . . . 0.0 115.472 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 119.602 1.701 . . . . 0.0 113.372 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.39 -35.45 54.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.813 -1.18 . . . . 0.0 112.402 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.4 84.25 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.757 1.223 . . . . 0.0 113.587 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.95 -33.31 45.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.956 0.902 . . . . 0.0 112.411 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -21.94 66.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -58.52 -18.91 33.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.817 1.247 . . . . 0.0 114.204 171.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.85 -2.18 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.14 118.6 19.05 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 119.936 1.244 . . . . 0.0 110.465 172.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.7 p -89.67 -25.65 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -168.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -111.11 -17.83 13.15 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.39 1.476 . . . . 0.0 113.565 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.56 27.47 38.92 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 118.997 0.817 . . . . 0.0 114.173 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -80.31 -1.04 39.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.345 1.572 . . . . 0.0 113.76 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.41 18.41 5.54 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.057 2.143 . . . . 0.0 114.316 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -130.97 152.57 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 124.721 1.208 . . . . 0.0 112.329 168.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -99.07 114.35 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 C-N-CA 124.682 1.193 . . . . 0.0 108.277 170.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -147.04 172.33 13.91 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.385 1.474 . . . . 0.0 111.446 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 -167.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.01 60.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.8 132.42 35.28 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.921 1.288 . . . . 0.0 111.783 166.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.64 67.39 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -171.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.23 -19.19 51.3 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.38 -44.18 79.93 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 120.232 1.378 . . . . 0.0 114.266 -168.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -78.9 -8.64 59.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 120.75 -1.219 . . . . 0.0 113.557 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -91.04 -25.83 19.48 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.594 1.557 . . . . 0.0 113.143 170.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.0 153.61 29.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.163 0.892 . . . . 0.0 111.253 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -134.24 163.02 30.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.581 1.552 . . . . 0.0 109.265 172.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.3 t -117.83 130.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -105.04 122.43 45.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.05 1.34 . . . . 0.0 110.266 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.86 98.26 6.73 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.151 1.38 . . . . 0.0 108.632 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.38 100.12 7.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.808 0.813 . . . . 0.0 110.043 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.99 -18.1 64.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.52 5.56 18.02 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 170.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 55.46 29.14 12.73 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 127.784 2.434 . . . . 0.0 115.652 169.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -93.74 -16.5 24.15 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 120.936 -1.103 . . . . 0.0 113.571 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.69 17.45 72.99 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.525 1.057 . . . . 0.0 114.309 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.63 129.92 57.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 118.794 1.297 . . . . 0.0 107.532 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -96.73 138.82 33.71 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.224 -0.922 . . . . 0.0 113.249 -164.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -141.2 151.2 43.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.512 1.525 . . . . 0.0 111.008 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -34.08 72.39 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -58.0 -23.58 54.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -94.22 -4.58 48.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.441 1.496 . . . . 0.0 113.127 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -98.87 151.82 20.42 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.323 1.449 . . . . 0.0 112.292 -177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.24 150.55 42.78 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 126.143 1.777 . . . . 0.0 111.39 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -77.51 156.68 30.84 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.886 1.674 . . . . 0.0 111.742 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.32 -36.73 85.07 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 121.582 -0.699 . . . . 0.0 111.925 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.99 -37.25 86.71 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.83 -30.36 70.97 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -87.43 -5.08 58.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.89 24.32 67.18 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.535 1.061 . . . . 0.0 115.102 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.36 128.66 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.745 1.218 . . . . 0.0 109.925 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.6 -47.22 7.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.467 1.507 . . . . 0.0 111.555 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 70.9 p -162.18 164.34 27.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.203 1.001 . . . . 0.0 113.039 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.58 138.06 51.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.517 1.927 . . . . 0.0 110.627 173.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.38 143.64 44.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.155 0.889 . . . . 0.0 112.469 170.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -97.91 -2.72 40.05 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.586 1.154 . . . . 0.0 113.406 162.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.78 139.73 38.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.072 0.949 . . . . 0.0 111.159 167.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -155.22 163.73 39.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.599 1.16 . . . . 0.0 112.824 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.56 140.3 47.43 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.47 2.308 . . . . 0.0 110.486 166.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -75.0 114.36 13.38 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 118.767 0.712 . . . . 0.0 110.284 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.41 -25.52 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 C-N-CA 124.5 1.12 . . . . 0.0 113.589 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.4 m120 48.86 39.65 14.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.517 1.927 . . . . 0.0 115.486 167.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -81.54 115.68 20.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.629 1.172 . . . . 0.0 110.787 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -73.37 121.55 20.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 159.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.14 -9.79 59.0 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 87.73 17.17 58.72 Favored Glycine 0 C--O 1.218 -0.874 0 C-N-CA 125.182 1.373 . . . . 0.0 114.233 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -140.87 7.24 2.05 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.36 1.464 . . . . 0.0 114.768 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.22 -26.15 19.69 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.12 1.819 . . . . 0.0 114.532 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.01 159.9 15.89 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 119.741 1.77 . . . . 0.0 112.367 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.5 m -139.34 134.01 31.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.127 -0.983 . . . . 0.0 111.627 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.7 tp -108.76 107.8 18.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.61 1.164 . . . . 0.0 109.717 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.82 -48.89 8.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.11 146.92 50.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.51 1.524 . . . . 0.0 110.708 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -138.44 135.08 34.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.64 0.776 . . . . 0.0 113.006 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.39 -148.85 5.48 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.909 2.671 . . . . 0.0 110.882 170.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.3 p -141.05 168.06 20.69 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.037 0.922 . . . . 0.0 113.303 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -135.86 159.2 42.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 126.28 1.832 . . . . 0.0 110.765 171.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.5 m -116.14 134.85 54.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -102.14 158.39 16.2 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 111.97 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.1 p -66.3 -25.78 67.01 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -82.75 24.95 0.69 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.836 1.654 . . . . 0.0 114.197 172.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.3 -8.12 54.2 Favored Glycine 0 C--N 1.341 0.852 0 N-CA-C 117.056 1.582 . . . . 0.0 117.056 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 58.8 p -83.36 155.43 23.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 119.952 1.876 . . . . 0.0 112.431 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.9 p -120.31 150.15 41.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.877 0.871 . . . . 0.0 111.481 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.72 162.37 36.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.722 1.209 . . . . 0.0 111.881 -173.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.17 140.15 37.82 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.126 0.97 . . . . 0.0 113.312 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -143.78 159.81 41.85 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.033 0.933 . . . . 0.0 111.206 166.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -173.11 168.17 41.11 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 114.257 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -88.14 104.92 17.14 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.424 1.089 . . . . 0.0 110.65 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -108.76 112.2 24.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.77 2.028 . . . . 0.0 109.035 -170.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.1 mt -81.32 124.12 29.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.978 1.311 . . . . 0.0 109.824 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.45 -0.472 0 C-N-CA 125.694 1.597 . . . . 0.0 109.855 -166.398 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo . . . . . 0 N--CA 1.472 0.21 0 N-CA-C 112.653 0.213 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.38 122.1 15.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.79 150.86 38.44 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.102 2.161 . . . . 0.0 111.158 170.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.88 138.94 51.18 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.533 1.533 . . . . 0.0 110.203 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -79.07 107.11 11.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.001 0.92 . . . . 0.0 109.555 168.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.73 -24.11 31.31 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -113.91 -8.32 13.13 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.56 40.8 4.94 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 120.256 1.389 . . . . 0.0 115.333 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -136.3 23.39 3.23 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.976 1.388 . . . . 0.0 114.409 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.4 171.68 48.36 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.504 2.002 . . . . 0.0 113.165 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -91.91 118.89 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 118.517 1.159 . . . . 0.0 109.391 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -88.5 140.28 29.62 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.331 1.052 . . . . 0.0 111.993 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.9 p -126.08 152.71 45.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.802 1.241 . . . . 0.0 112.323 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.444 -0.762 0 C-N-CA 127.339 2.256 . . . . 0.0 111.106 -173.202 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.718 0.771 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.41 135.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.376 1.07 . . . . 0.0 110.442 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.5 t -62.29 156.28 22.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.864 1.266 . . . . 0.0 112.146 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.54 -10.49 18.32 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.981 0.913 . . . . 0.0 113.402 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.32 -24.5 67.88 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.185 1.794 . . . . 0.0 113.653 168.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -137.98 -172.51 3.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.985 2.514 . . . . 0.0 111.969 -172.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.91 161.49 32.41 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.4 140.02 32.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.195 1.798 . . . . 0.0 111.356 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -77.47 128.89 34.97 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.654 1.182 . . . . 0.0 110.545 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.5 m -147.62 167.96 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 124.882 1.273 . . . . 0.0 112.633 -170.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -159.43 135.15 8.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.991 1.316 . . . . 0.0 111.137 163.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -71.22 130.81 42.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.936 1.295 . . . . 0.0 112.176 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.54 -4.84 20.74 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 126.033 1.733 . . . . 0.0 115.149 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -137.93 20.29 2.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.12 12.99 61.39 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 118.418 -1.212 . . . . 0.0 116.067 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -85.97 1.69 49.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.151 1.475 . . . . 0.0 113.8 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.77 -1.94 87.94 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 126.187 1.851 . . . . 0.0 116.186 170.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -140.96 161.15 23.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 124.856 1.262 . . . . 0.0 112.711 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mm -92.84 107.73 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 125.377 1.471 . . . . 0.0 108.286 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -151.5 -2.01 0.32 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.88 16.41 25.21 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 121.329 1.877 . . . . 0.0 115.066 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.05 -37.8 1.75 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 126.32 1.914 . . . . 0.0 116.882 165.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.86 5.75 50.66 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.412 1.885 . . . . 0.0 114.151 172.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.11 -3.28 54.45 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.932 1.293 . . . . 0.0 114.313 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -125.84 149.85 48.31 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 128.173 2.589 . . . . 0.0 110.176 171.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -84.96 110.94 19.25 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.244 1.018 . . . . 0.0 113.263 -161.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.24 -158.53 20.01 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.763 1.173 . . . . 0.0 113.074 -174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.53 -16.66 61.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -87.32 -2.16 58.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.992 -1.067 . . . . 0.0 112.867 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.3 m -85.41 137.3 33.02 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 125.297 1.439 . . . . 0.0 110.89 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.77 152.0 23.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.908 0.883 . . . . 0.0 113.32 171.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.2 mt -92.62 174.85 7.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.446 2.299 . . . . 0.0 111.036 171.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.37 67.26 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -89.14 -5.58 57.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.816 1.189 . . . . 0.0 113.967 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.47 60.44 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 126.646 2.07 . . . . 0.0 115.969 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -65.72 152.63 43.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.097 1.449 . . . . 0.0 111.318 170.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -78.29 144.64 35.95 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 120.011 1.278 . . . . 0.0 112.212 173.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.71 150.24 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 111.28 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.57 -46.25 73.23 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.662 -0.649 . . . . 0.0 112.327 173.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.54 ' CG ' HE22 ' A' ' 149' ' ' GLN . 14.7 p80 -157.6 170.12 23.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.81 1.244 . . . . 0.0 112.304 -164.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.02 74.37 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 115.555 0.982 . . . . 0.0 115.555 -173.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -70.11 -44.79 68.25 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 118.011 0.906 . . . . 0.0 112.461 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.89 85.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.176 0.59 . . . . 0.0 111.915 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.39 98.74 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 124.238 1.015 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -77.67 -35.5 52.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.911 -1.118 . . . . 0.0 113.132 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.49 -16.42 55.49 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -60.95 -22.15 64.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.202 1.401 . . . . 0.0 114.041 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 mt -94.91 -0.7 53.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -76.76 120.34 21.78 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.895 0.855 . . . . 0.0 111.652 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 m -66.65 -37.69 85.33 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.756 1.223 . . . . 0.0 113.588 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -112.85 -16.54 12.71 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.78 45.44 17.05 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 119.461 1.028 . . . . 0.0 112.645 -171.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -111.17 9.6 21.87 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 126.058 1.743 . . . . 0.0 113.392 -171.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 68.65 15.29 9.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.101 2.16 . . . . 0.0 115.856 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.4 pt -135.59 151.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.2 mm -106.3 116.91 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 C-N-CA 124.74 1.216 . . . . 0.0 108.116 159.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -144.33 -172.81 3.86 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.974 1.31 . . . . 0.0 111.352 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.79 -13.11 3.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.8 -27.81 58.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 120.828 1.649 . . . . 0.0 113.753 169.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.66 136.08 36.72 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.28 1.032 . . . . 0.0 111.993 175.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.86 88.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.764 -1.21 . . . . 0.0 112.155 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.334 1.054 . . . . 0.0 113.75 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.25 -28.97 56.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 120.042 1.292 . . . . 0.0 113.066 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -81.7 -27.38 33.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.1 p -103.43 -15.9 15.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.565 1.546 . . . . 0.0 114.625 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.21 146.82 52.57 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.089 1.356 . . . . 0.0 111.74 171.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -137.42 169.1 18.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.535 1.934 . . . . 0.0 110.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.0 t -122.99 132.56 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 125.048 1.339 . . . . 0.0 109.252 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -107.13 126.89 52.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.931 1.292 . . . . 0.0 111.64 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -115.1 103.83 11.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.406 1.483 . . . . 0.0 109.267 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -75.87 82.09 2.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.954 0.797 . . . . 0.0 111.263 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -24.01 63.09 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -161.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -112.13 -7.26 14.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.22 1.808 . . . . 0.0 113.834 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.273 21.4 mp0 47.41 60.37 3.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.463 1.905 . . . . 0.0 114.441 -168.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -92.95 -10.17 37.36 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.536 1.134 . . . . 0.0 113.143 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.76 17.84 76.99 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 124.907 1.241 . . . . 0.0 115.114 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.12 129.2 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.477 1.911 . . . . 0.0 108.308 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -85.02 135.33 34.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.139 0.976 . . . . 0.0 111.181 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -125.32 147.8 48.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.832 1.653 . . . . 0.0 108.936 169.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.46 -30.24 68.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -56.14 -30.1 61.67 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.879 1.672 . . . . 0.0 113.392 171.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -88.05 -3.29 58.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.999 1.32 . . . . 0.0 114.327 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.16 150.86 21.2 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 124.501 1.12 . . . . 0.0 110.954 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -136.43 150.3 48.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.822 2.049 . . . . 0.0 110.798 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.1 p -72.18 160.82 31.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.513 1.525 . . . . 0.0 111.702 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.75 -34.74 76.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.354 -0.842 . . . . 0.0 111.124 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.51 -41.98 88.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -175.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -75.54 -18.35 59.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.4 6.32 27.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.74 1.216 . . . . 0.0 112.505 167.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 63.71 23.58 67.29 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 123.989 0.804 . . . . 0.0 114.077 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.81 134.72 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 118.688 1.244 . . . . 0.0 109.191 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -106.17 -47.83 3.73 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.272 1.429 . . . . 0.0 111.734 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.0 p -155.26 154.26 31.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.993 -1.067 . . . . 0.0 112.341 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.76 134.49 53.29 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.989 1.315 . . . . 0.0 108.938 166.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -83.3 146.84 28.3 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 171.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.92 -2.71 31.21 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.308 1.043 . . . . 0.0 113.76 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.42 138.47 35.56 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.763 1.225 . . . . 0.0 111.909 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -150.11 163.71 37.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.221 1.008 . . . . 0.0 112.48 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -123.13 143.01 50.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.898 1.679 . . . . 0.0 110.73 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.21 121.61 18.69 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.965 164.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.25 -21.95 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 C-N-CA 125.365 1.466 . . . . 0.0 114.484 -175.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.8 m120 49.08 36.76 9.3 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 126.184 1.793 . . . . 0.0 115.43 169.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -79.02 139.05 38.27 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.516 1.127 . . . . 0.0 112.099 -172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.44 128.61 34.79 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.985 0.514 . . . . 0.0 109.879 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.98 -27.74 13.73 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 117.03 156.68 10.59 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 125.253 1.406 . . . . 0.0 112.026 -166.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.8 m120 54.29 24.87 5.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.794 2.037 . . . . 0.0 113.438 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.79 20.05 73.92 Favored Glycine 0 CA--C 1.528 0.871 0 O-C-N 120.912 -1.117 . . . . 0.0 115.277 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -91.16 124.95 35.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 117.941 0.87 . . . . 0.0 109.819 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -103.84 134.14 47.63 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.033 0.933 . . . . 0.0 110.699 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.07 94.07 9.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.767 1.227 . . . . 0.0 107.955 165.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.56 67.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 123.226 0.61 . . . . 0.0 112.147 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.54 HE22 ' CG ' ' A' ' 76' ' ' HIS . 29.5 mt-30 -133.76 138.88 46.0 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.747 1.619 . . . . 0.0 110.48 -173.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -131.64 145.68 51.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.89 1.276 . . . . 0.0 113.249 -169.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.81 -157.04 8.29 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 126.854 2.169 . . . . 0.0 112.558 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 m -133.6 162.64 31.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.751 1.62 . . . . 0.0 114.135 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -137.33 157.75 45.94 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.455 1.902 . . . . 0.0 111.005 169.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.5 m -110.61 140.65 44.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.807 1.643 . . . . 0.0 111.567 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -102.57 159.74 15.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.383 1.873 . . . . 0.0 112.897 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.2 p -66.58 -19.36 65.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.502 1.521 . . . . 0.0 113.938 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -78.35 0.93 23.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.204 1.402 . . . . 0.0 114.444 169.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.04 -5.33 84.38 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.745 1.641 . . . . 0.0 115.237 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 31.1 p -77.55 165.72 23.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 119.534 1.667 . . . . 0.0 112.177 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 60.0 p -127.22 153.53 45.98 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.15 0.98 . . . . 0.0 111.403 173.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.92 164.7 31.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.026 0.931 . . . . 0.0 110.88 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -75.59 153.93 37.03 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 122.612 1.196 . . . . 0.0 113.242 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.1 ptm -147.71 166.57 27.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.945 1.298 . . . . 0.0 109.831 166.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.19 172.61 41.93 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 121.369 -0.832 . . . . 0.0 114.795 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -82.38 105.85 13.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.203 1.001 . . . . 0.0 109.922 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.2 123.6 48.29 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.895 2.078 . . . . 0.0 109.584 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.87 134.13 35.1 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 112.342 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.445 -0.693 0 C-N-CA 126.725 2.01 . . . . 0.0 114.632 -163.609 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 8.7 Cg_exo . . . . . 0 CA--C 1.517 -0.352 0 N-CA-C 112.514 0.159 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.89 125.85 27.23 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 121.505 -0.747 . . . . 0.0 112.637 -174.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.19 144.26 49.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 127.634 2.374 . . . . 0.0 110.756 174.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -116.23 138.3 51.41 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.047 1.739 . . . . 0.0 110.967 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -79.22 114.02 17.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.801 1.24 . . . . 0.0 110.349 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.87 -27.33 22.27 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -168.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -110.91 -5.83 14.81 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.26 33.56 11.7 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-O 118.37 -1.239 . . . . 0.0 115.246 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -123.54 16.9 9.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 120.29 2.045 . . . . 0.0 114.75 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.4 158.07 28.91 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 125.896 1.713 . . . . 0.0 113.501 -172.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.76 122.24 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 124.148 0.979 . . . . 0.0 108.584 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -100.61 149.56 23.62 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.964 1.306 . . . . 0.0 111.886 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 p -134.89 166.92 21.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.121 1.368 . . . . 0.0 112.221 -173.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.441 -0.887 0 C-N-CA 125.762 1.625 . . . . 0.0 109.63 169.149 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 122.248 1.023 . . . . 0.0 113.29 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.95 141.5 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.742 1.217 . . . . 0.0 109.913 165.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -60.97 153.8 24.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.072 -1.017 . . . . 0.0 112.073 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.81 16.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 169.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.88 -31.67 72.75 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.799 1.24 . . . . 0.0 113.071 172.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -122.05 -170.65 2.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.012 2.125 . . . . 0.0 111.673 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.66 161.51 32.3 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 115.836 1.094 . . . . 0.0 115.836 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.44 138.04 31.89 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.891 1.676 . . . . 0.0 111.304 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.57 129.08 37.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.859 0.864 . . . . 0.0 110.157 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -143.8 167.63 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 124.572 1.149 . . . . 0.0 112.909 -174.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -145.76 130.91 18.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 126.622 1.969 . . . . 0.0 111.218 171.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -79.74 115.04 19.11 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.31 0.644 . . . . 0.0 111.596 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -89.94 -0.31 57.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 114.823 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -139.3 3.08 2.12 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 17.44 77.05 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -83.76 -3.78 58.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 118.956 1.378 . . . . 0.0 114.589 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.8 4.96 90.31 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-O 118.069 -1.406 . . . . 0.0 115.634 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.1 pt -132.44 164.23 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 125.833 1.653 . . . . 0.0 112.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -97.8 119.71 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 124.65 1.18 . . . . 0.0 109.524 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -132.24 -1.67 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -172.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.23 150.27 35.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.622 1.169 . . . . 0.0 112.086 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.26 -18.45 49.43 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.787 1.184 . . . . 0.0 114.776 175.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -19.21 65.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.996 1.719 . . . . 0.0 114.727 170.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -93.85 -10.55 33.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.964 1.705 . . . . 0.0 113.177 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.95 165.12 22.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.11 1.764 . . . . 0.0 110.609 164.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 59.8 m-85 -100.12 105.23 16.83 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.618 -0.676 . . . . 0.0 110.159 163.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.28 -162.61 27.38 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 125.377 1.465 . . . . 0.0 113.697 -169.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -75.48 10.83 1.47 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -124.38 2.89 8.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.562 1.545 . . . . 0.0 113.571 170.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -76.07 152.04 36.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 120.459 -1.401 . . . . 0.0 111.204 167.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -94.66 161.22 14.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.36 179.21 4.33 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 128.876 2.87 . . . . 0.0 110.609 174.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.66 -29.39 69.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -89.26 7.89 33.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 119.278 0.944 . . . . 0.0 112.79 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.84 86.65 Favored Glycine 0 N--CA 1.443 -0.892 0 O-C-N 120.622 -1.299 . . . . 0.0 115.704 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.97 150.05 48.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 119.385 1.592 . . . . 0.0 110.309 167.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -78.71 142.88 36.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.489 -0.757 . . . . 0.0 110.401 171.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.52 149.97 47.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.76 0.824 . . . . 0.0 112.006 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -81.97 -26.94 33.51 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.411 ' CG ' HE21 ' A' ' 149' ' ' GLN . 12.6 p80 -154.06 167.38 30.01 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.258 1.423 . . . . 0.0 112.415 178.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.36 -29.52 74.31 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.234 -0.916 . . . . 0.0 115.355 -168.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -74.61 -37.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 118.703 1.252 . . . . 0.0 112.012 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.08 82.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.81 0.732 . . . . 0.0 112.514 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.43 97.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.428 1.091 . . . . 0.0 112.899 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.6 tp -76.25 -37.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.88 -19.61 65.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -172.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.73 -23.38 66.73 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.307 1.443 . . . . 0.0 113.466 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.6 mt -85.29 -3.05 58.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -174.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -68.15 119.51 12.85 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 121.068 -1.02 . . . . 0.0 110.203 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.0 p -81.09 -37.08 29.56 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.764 1.226 . . . . 0.0 114.1 -171.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -110.54 -21.11 12.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.05 1.74 . . . . 0.0 113.691 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.39 67.42 1.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 O-C-N 121.331 -0.856 . . . . 0.0 112.464 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -122.53 -2.14 8.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.65 1.58 . . . . 0.0 113.437 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.16 25.03 10.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.869 2.068 . . . . 0.0 114.998 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -132.47 147.14 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 124.785 1.234 . . . . 0.0 111.158 166.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm -98.16 110.51 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -142.48 169.66 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 126.623 1.969 . . . . 0.0 110.89 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.71 -16.1 24.62 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -166.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.36 -21.65 49.13 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.81 1.186 . . . . 0.0 114.108 171.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.98 125.58 27.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 120.159 1.345 . . . . 0.0 111.334 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.07 73.48 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.28 -18.04 62.44 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.47 -34.7 62.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 119.188 0.904 . . . . 0.0 112.366 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.65 -20.42 65.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.702 1.201 . . . . 0.0 113.746 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 m -98.84 -6.21 29.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.118 1.367 . . . . 0.0 114.09 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.38 136.63 44.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.804 -1.185 . . . . 0.0 111.427 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -139.24 171.9 13.61 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.049 1.739 . . . . 0.0 110.56 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -118.89 131.8 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 124.034 0.934 . . . . 0.0 110.141 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -100.55 120.8 40.57 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.366 1.467 . . . . 0.0 110.451 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -112.97 98.35 7.12 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.628 1.171 . . . . 0.0 108.581 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -73.29 112.96 9.84 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.969 0.804 . . . . 0.0 109.742 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.4 mt -80.18 -7.08 58.78 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -170.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -114.36 -10.9 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 52.65 54.07 11.18 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.061 1.745 . . . . 0.0 112.766 -170.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -108.74 -15.56 14.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.686 1.194 . . . . 0.0 112.836 171.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.15 78.89 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 120.881 -1.137 . . . . 0.0 112.887 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.78 112.72 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 126.147 1.779 . . . . 0.0 106.394 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.16 146.36 27.15 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.058 -1.027 . . . . 0.0 113.23 -167.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -132.19 151.47 51.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.123 1.769 . . . . 0.0 109.171 169.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.56 71.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.497 -1.377 . . . . 0.0 114.067 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -63.01 -19.71 64.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.34 -10.16 59.19 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.079 1.352 . . . . 0.0 113.046 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.78 142.15 29.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.503 0.721 . . . . 0.0 111.592 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -137.03 150.63 48.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.771 2.028 . . . . 0.0 111.244 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.2 p -77.59 164.95 24.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.787 1.235 . . . . 0.0 112.167 174.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.48 -48.07 68.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.155 -0.966 . . . . 0.0 112.312 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.49 -33.63 74.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.69 0.796 . . . . 0.0 113.035 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.73 -20.64 63.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 119.499 1.045 . . . . 0.0 113.279 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.8 mt -97.58 2.85 50.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.433 1.893 . . . . 0.0 113.493 171.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.91 17.6 80.18 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 124.825 1.202 . . . . 0.0 115.674 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 33.6 mt -84.25 137.49 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 119.497 1.649 . . . . 0.0 109.777 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -127.01 -42.01 1.76 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 p -159.48 154.77 25.37 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 120.5 1.5 . . . . 0.0 112.084 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -109.47 133.36 53.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.574 1.149 . . . . 0.0 111.427 -174.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -93.14 118.58 31.38 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.829 1.252 . . . . 0.0 111.589 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.67 28.87 0.74 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -106.01 115.14 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.814 1.646 . . . . 0.0 109.753 167.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.98 147.59 34.12 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.864 1.266 . . . . 0.0 112.846 -168.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -111.89 135.22 52.81 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.679 1.992 . . . . 0.0 110.573 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.51 126.28 29.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.454 1.502 . . . . 0.0 110.739 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.42 -30.41 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 -172.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 44.22 50.14 7.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.886 2.075 . . . . 0.0 115.684 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -89.12 143.94 26.49 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.265 1.826 . . . . 0.0 112.793 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.0 138.55 38.88 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.572 -0.705 . . . . 0.0 111.034 161.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 81.1 mt -119.07 -4.81 10.55 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.657 1.583 . . . . 0.0 114.24 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 158.55 178.37 32.51 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 111.838 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -65.74 110.35 2.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 117.98 0.89 . . . . 0.0 110.427 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.75 7.78 88.06 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.42 124.16 49.97 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 120.08 1.94 . . . . 0.0 111.68 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -132.81 136.06 46.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.226 1.01 . . . . 0.0 110.64 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.25 105.95 15.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.488 1.515 . . . . 0.0 109.351 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.43 -47.59 26.62 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.904 0.882 . . . . 0.0 112.317 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.411 HE21 ' CG ' ' A' ' 76' ' ' HIS . 36.7 mt-30 -138.41 154.42 48.9 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.398 1.479 . . . . 0.0 111.175 -174.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -143.18 144.19 32.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -161.94 -151.73 6.43 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 126.945 2.212 . . . . 0.0 112.716 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 30.8 m -141.36 171.14 14.48 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.941 1.696 . . . . 0.0 112.611 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -135.36 160.35 38.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.273 1.829 . . . . 0.0 111.566 170.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 54.7 m -94.68 136.24 35.21 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 125.69 1.596 . . . . 0.0 111.202 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -95.96 156.18 16.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 126.407 1.883 . . . . 0.0 112.948 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.9 p -61.51 -22.76 65.41 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.164 1.386 . . . . 0.0 113.906 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -88.54 8.4 28.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.85 0.86 90.48 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 116.767 1.467 . . . . 0.0 116.767 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.4 p -90.64 -179.59 5.58 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 118.642 1.221 . . . . 0.0 112.301 172.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 77.1 p -122.79 159.54 27.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.519 1.128 . . . . 0.0 111.952 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.64 163.96 33.23 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.558 1.543 . . . . 0.0 110.692 170.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.57 154.96 36.44 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -150.81 168.68 23.7 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.06 1.344 . . . . 0.0 111.591 167.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.0 171.19 43.67 Favored Glycine 0 N--CA 1.446 -0.663 0 O-C-N 121.255 -0.903 . . . . 0.0 115.154 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -89.92 104.66 17.2 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 125.866 1.666 . . . . 0.0 109.638 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.8 tt -115.73 124.63 51.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 110.151 -169.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 31.1 mt -81.24 135.41 35.73 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.079 1.352 . . . . 0.0 112.008 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.45 -0.446 0 C-N-CA 125.82 1.648 . . . . 0.0 111.316 -169.672 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 112.699 0.23 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.23 121.34 13.46 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.179 0.991 . . . . 0.0 112.831 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.0 148.51 32.39 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.724 2.41 . . . . 0.0 111.659 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -119.42 134.75 55.07 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.154 1.782 . . . . 0.0 109.721 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.16 106.1 10.96 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 125.652 1.581 . . . . 0.0 109.541 167.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.1 -31.62 19.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.808 -1.183 . . . . 0.0 113.077 -166.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -98.02 -2.42 40.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.95 1.3 . . . . 0.0 114.349 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.16 43.69 7.4 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 115.874 1.11 . . . . 0.0 115.874 164.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -138.19 13.75 2.83 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.23 149.18 19.72 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 126.763 2.125 . . . . 0.0 113.117 -176.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.71 123.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.023 0.929 . . . . 0.0 109.286 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -108.24 152.85 24.04 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 112.821 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 p -135.44 157.99 45.51 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.246 1.418 . . . . 0.0 112.422 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 CA--C 1.515 -0.384 0 C-N-CA 125.515 1.526 . . . . 0.0 111.866 178.65 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 121.613 0.72 . . . . 0.0 112.837 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.7 133.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.976 1.31 . . . . 0.0 111.235 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -59.65 156.33 13.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.745 1.618 . . . . 0.0 114.034 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -16.14 64.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -80.46 -18.81 47.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.265 1.426 . . . . 0.0 113.272 172.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -116.86 -178.82 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 111.87 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.99 175.88 37.62 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 116.208 1.243 . . . . 0.0 116.208 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.0 140.16 48.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.879 2.072 . . . . 0.0 112.135 -177.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 tp -80.77 129.36 34.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.93 0.892 . . . . 0.0 111.281 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -145.91 168.52 7.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 124.932 1.293 . . . . 0.0 112.761 -172.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -154.07 127.11 8.34 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.579 1.551 . . . . 0.0 111.358 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -76.7 116.45 17.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.058 0.543 . . . . 0.0 110.359 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.98 2.7 46.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.951 1.701 . . . . 0.0 113.83 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.92 -5.28 3.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.92 9.23 86.54 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -73.84 -5.08 38.78 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 120.21 2.005 . . . . 0.0 114.886 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.05 -6.87 72.93 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 126.305 1.907 . . . . 0.0 115.101 176.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 pt -132.2 167.16 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.807 1.643 . . . . 0.0 113.37 -173.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.2 mm -104.83 98.52 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.532 2.333 . . . . 0.0 109.092 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -133.88 -20.18 1.99 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -168.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -98.41 149.56 22.54 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 126.146 1.778 . . . . 0.0 111.74 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.02 -21.61 63.87 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 116.159 1.223 . . . . 0.0 116.159 -172.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.53 -9.28 59.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.751 1.22 . . . . 0.0 114.267 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -86.78 -4.25 59.15 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.795 1.238 . . . . 0.0 114.128 -170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.16 152.67 26.77 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.897 1.679 . . . . 0.0 109.385 164.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.35 106.98 18.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.689 -0.632 . . . . 0.0 111.415 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.09 -177.11 43.01 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.434 1.492 . . . . 0.0 111.726 -173.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -63.96 -10.85 23.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -169.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.47 -3.74 48.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.779 -1.826 . . . . 0.0 113.779 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -78.13 145.92 35.43 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.79 1.636 . . . . 0.0 111.811 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -99.43 140.88 32.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.153 1.381 . . . . 0.0 112.413 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.05 169.22 10.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.482 2.313 . . . . 0.0 111.567 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.3 66.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -170.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -84.69 5.16 29.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 120.085 1.311 . . . . 0.0 114.099 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.89 -3.29 82.83 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 125.862 1.696 . . . . 0.0 115.17 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -68.35 152.02 46.04 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.07 1.435 . . . . 0.0 111.4 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.83 144.97 28.09 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.452 -0.78 . . . . 0.0 112.172 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.48 142.64 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.562 1.145 . . . . 0.0 111.121 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -81.92 -25.34 35.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.55 170.4 22.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.435 1.894 . . . . 0.0 111.905 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.51 -24.75 66.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.273 0.939 . . . . 0.0 115.243 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.4 -46.6 66.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 119.005 1.403 . . . . 0.0 112.25 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.09 76.28 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 123.225 0.61 . . . . 0.0 112.567 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.72 96.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.907 0.883 . . . . 0.0 113.14 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 tp -76.67 -35.89 57.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.776 1.231 . . . . 0.0 113.12 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.56 65.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -61.38 -16.47 46.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.703 1.201 . . . . 0.0 113.694 172.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -95.91 -0.3 51.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -72.32 119.08 16.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 119.963 1.256 . . . . 0.0 109.731 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 m -88.64 -27.21 21.44 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -170.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -112.4 -10.37 13.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.34 18.07 59.57 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -79.41 -0.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 119.185 1.493 . . . . 0.0 113.968 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.268 27.8 t30 68.71 20.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.797 2.039 . . . . 0.0 115.723 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.87 150.63 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 C-N-CA 124.965 1.306 . . . . 0.0 111.971 168.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.1 113.44 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 124.748 1.219 . . . . 0.0 108.449 170.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -145.39 171.89 13.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.575 1.55 . . . . 0.0 111.43 -174.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.97 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -20.03 59.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.796 1.18 . . . . 0.0 113.997 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -72.81 142.3 48.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 120.222 1.374 . . . . 0.0 112.867 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.8 91.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -165.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.4 -17.62 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -53.9 -44.72 70.74 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -160.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -70.2 -19.42 63.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m -89.79 -12.21 39.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.708 1.603 . . . . 0.0 113.342 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.01 152.57 45.55 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 124.237 1.015 . . . . 0.0 111.413 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -140.63 165.66 26.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.817 1.647 . . . . 0.0 110.836 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.72 131.14 70.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.974 1.31 . . . . 0.0 108.811 169.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -100.87 123.55 45.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.644 1.578 . . . . 0.0 110.818 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -117.54 98.57 6.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.698 1.199 . . . . 0.0 108.284 169.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.25 118.73 15.5 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 122.047 -0.408 . . . . 0.0 110.484 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.51 -9.89 59.6 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -170.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -111.57 -3.73 15.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.392 1.477 . . . . 0.0 111.812 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 53.03 37.78 25.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.574 1.55 . . . . 0.0 112.732 -174.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -108.14 0.83 21.82 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.77 26.02 73.04 Favored Glycine 0 C--O 1.227 -0.319 0 O-C-N 120.929 -1.107 . . . . 0.0 114.975 169.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.8 mt -126.96 115.89 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.2 p -86.01 150.53 24.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -163.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -131.3 155.49 47.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.174 168.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.47 67.16 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -74.93 -10.26 59.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.17 -4.92 45.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.985 1.714 . . . . 0.0 113.695 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -97.2 149.82 21.59 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.539 1.136 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -138.45 152.88 48.72 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 127.854 2.461 . . . . 0.0 111.448 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.5 p -75.12 163.76 27.22 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 124.293 1.037 . . . . 0.0 111.979 169.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.73 -35.86 70.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.004 -1.06 . . . . 0.0 111.227 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.84 -38.14 82.8 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -73.44 -11.65 60.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.02 4.52 42.46 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 113.118 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.74 20.0 78.38 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 124.889 1.233 . . . . 0.0 115.045 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.6 mt -79.69 128.58 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 120.017 1.909 . . . . 0.0 109.799 -174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -96.6 -50.76 4.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.067 1.347 . . . . 0.0 112.365 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.9 p -160.32 157.52 28.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.59 -0.694 . . . . 0.0 112.859 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.35 133.13 53.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.686 1.194 . . . . 0.0 109.246 172.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -86.65 126.91 34.85 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.014 1.326 . . . . 0.0 110.518 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.28 -2.89 54.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.86 129.52 34.84 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.884 1.22 . . . . 0.0 112.091 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -138.27 166.4 24.28 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 125.396 1.478 . . . . 0.0 113.183 -170.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -134.48 145.62 48.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.306 1.842 . . . . 0.0 111.491 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.53 137.18 37.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.263 0.625 . . . . 0.0 111.265 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.5 m -129.59 -38.61 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 124.35 1.06 . . . . 0.0 113.182 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 46.01 48.39 12.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.507 1.523 . . . . 0.0 112.952 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -102.36 125.48 49.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.213 2.605 . . . . 0.0 112.266 -162.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.93 121.79 19.69 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.221 1.009 . . . . 0.0 111.348 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.37 -1.89 52.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.336 1.454 . . . . 0.0 113.7 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.75 174.21 35.93 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 124.688 1.137 . . . . 0.0 113.026 -167.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . 0.261 0.6 OUTLIER 50.1 18.05 0.36 Allowed 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.49 2.316 . . . . 0.0 116.222 -177.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.17 5.0 70.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.621 1.582 . . . . 0.0 116.33 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -97.32 153.82 17.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.499 2.149 . . . . 0.0 112.044 172.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.2 m -141.49 142.89 33.59 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.439 1.496 . . . . 0.0 110.211 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 16.2 tp -100.39 123.29 44.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.156 1.382 . . . . 0.0 109.825 172.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.35 -56.64 3.23 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.603 0.638 . . . . 0.0 112.482 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -128.11 142.94 51.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 126.54 1.936 . . . . 0.0 108.805 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -130.32 150.93 51.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.02 1.328 . . . . 0.0 112.461 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.83 -152.82 6.42 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 128.048 2.737 . . . . 0.0 110.569 170.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.5 p -136.35 161.49 35.66 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -121.84 155.59 35.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.796 1.638 . . . . 0.0 110.41 169.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 99.1 m -104.6 139.91 38.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.561 1.544 . . . . 0.0 111.191 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.97 158.55 15.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.243 2.217 . . . . 0.0 111.876 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.3 p -69.19 -15.61 63.43 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -80.22 0.07 34.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 166.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.82 -11.09 71.6 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 126.286 1.898 . . . . 0.0 115.489 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 39.8 p -79.43 171.26 15.41 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.253 1.527 . . . . 0.0 112.913 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 33.0 p -130.35 155.44 46.36 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.521 1.128 . . . . 0.0 113.428 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.65 165.46 27.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.31 1.844 . . . . 0.0 111.051 169.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -72.91 153.01 41.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 120.849 -1.157 . . . . 0.0 114.114 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.9 ptm -145.88 161.11 40.76 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.527 1.531 . . . . 0.0 109.979 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.05 168.32 40.11 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 121.561 -0.712 . . . . 0.0 114.477 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -83.01 111.07 18.52 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 123.868 0.867 . . . . 0.0 109.65 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.1 tt -112.1 126.82 55.59 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.148 1.779 . . . . 0.0 110.842 -170.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.7 mt -83.21 119.36 24.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.523 1.129 . . . . 0.0 111.107 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.447 -0.579 0 C-N-CA 126.379 1.872 . . . . 0.0 111.14 -173.483 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_exo . . . . . 0 N--CA 1.473 0.273 0 N-CA-C 113.216 0.429 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.77 120.7 15.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.85 145.29 43.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.504 2.322 . . . . 0.0 112.233 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mp -119.91 136.88 54.34 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.107 1.763 . . . . 0.0 111.576 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.03 112.98 21.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.633 1.173 . . . . 0.0 110.291 174.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.7 mt -90.12 -35.4 15.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -111.52 17.53 19.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.535 1.934 . . . . 0.0 114.794 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.46 -4.24 69.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 163.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -99.66 18.74 17.32 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.794 2.038 . . . . 0.0 113.713 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.35 164.1 39.93 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 125.757 1.646 . . . . 0.0 113.369 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.98 120.0 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 O-C-N 121.627 -0.925 . . . . 0.0 109.575 -176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -102.12 150.35 23.35 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.982 1.713 . . . . 0.0 112.317 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.6 p -132.32 160.87 34.99 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.594 1.558 . . . . 0.0 113.404 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.447 -0.587 0 C-N-CA 126.016 1.726 . . . . 0.0 111.665 -173.716 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -73.8 134.32 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 124.592 1.157 . . . . 0.0 110.522 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 t -63.21 156.18 26.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.863 1.265 . . . . 0.0 112.23 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -11.29 19.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.9 -35.06 75.68 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 166.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -127.11 -176.79 3.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 128.891 2.876 . . . . 0.0 111.205 -167.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.86 169.17 34.04 Favored Glycine 0 C--N 1.339 0.717 0 O-C-N 121.005 -1.059 . . . . 0.0 115.111 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -102.66 141.32 35.67 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.702 1.601 . . . . 0.0 111.511 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.7 129.28 35.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.012 0.925 . . . . 0.0 111.504 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.37 163.97 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 124.968 1.307 . . . . 0.0 112.778 -170.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -154.89 120.81 5.17 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.848 1.659 . . . . 0.0 110.005 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.64 117.66 20.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.12 -21.6 64.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.496 -0.753 . . . . 0.0 112.065 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -94.2 -8.51 39.1 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.92 14.18 72.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -84.42 -20.07 32.45 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 119.683 1.742 . . . . 0.0 112.874 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.13 23.25 35.4 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.804 1.193 . . . . 0.0 113.99 -169.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.46 118.78 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.908 1.283 . . . . 0.0 110.669 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.6 mm -98.52 111.32 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 127.472 2.309 . . . . 0.0 108.216 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -144.09 -9.91 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -114.04 153.21 29.8 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.66 1.184 . . . . 0.0 111.394 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.35 -17.96 62.49 Favored Glycine 0 C--N 1.342 0.886 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.41 -11.57 60.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.164 -1.198 . . . . 0.0 113.916 168.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -105.38 -7.2 18.94 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.405 1.482 . . . . 0.0 113.78 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 tp -131.41 111.15 11.57 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.159 2.183 . . . . 0.0 108.788 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -66.1 112.75 4.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.306 0.642 . . . . 0.0 112.509 -167.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.32 -167.79 36.73 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 126.144 1.83 . . . . 0.0 112.485 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -72.2 9.71 0.93 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.48 -2.32 17.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.106 -1.621 . . . . 0.0 113.475 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -79.19 150.4 31.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.305 1.442 . . . . 0.0 111.527 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -101.11 138.5 38.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.495 1.118 . . . . 0.0 113.882 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.0 mt -80.76 170.82 15.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.819 2.048 . . . . 0.0 111.128 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.98 65.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -170.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -95.39 2.87 54.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 120.111 1.323 . . . . 0.0 113.36 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.55 79.57 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 125.268 1.413 . . . . 0.0 115.423 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 m -66.07 142.85 57.65 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.93 1.365 . . . . 0.0 110.938 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -73.09 142.98 47.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.551 -0.718 . . . . 0.0 111.451 170.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.53 149.3 47.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.917 0.865 . . . . 0.0 111.741 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.66 -35.15 65.21 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.806 0.842 . . . . 0.0 112.676 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -161.96 167.23 24.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.174 1.79 . . . . 0.0 112.312 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.96 94.94 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 125.054 1.311 . . . . 0.0 115.711 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -67.36 -41.23 85.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.983 1.891 . . . . 0.0 111.818 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.91 82.28 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.97 74.9 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.939 1.295 . . . . 0.0 113.374 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -31.42 25.7 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.443 1.097 . . . . 0.0 113.21 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -21.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -174.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.61 -20.8 65.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.681 -1.262 . . . . 0.0 113.049 172.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.76 -6.54 59.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.697 1.199 . . . . 0.0 112.806 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.66 104.61 11.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 120.086 1.312 . . . . 0.0 109.978 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.3 m -86.31 -17.65 34.02 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -168.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -109.86 -12.86 14.54 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.169 0.988 . . . . 0.0 113.209 173.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.32 57.33 4.74 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 119.35 0.977 . . . . 0.0 112.465 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 p30 -112.96 -1.98 14.39 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.596 1.558 . . . . 0.0 113.094 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.271 15.1 t-20 67.22 31.95 6.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 125.947 1.699 . . . . 0.0 114.806 -175.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.6 pt -139.14 152.59 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 125.942 1.697 . . . . 0.0 112.131 163.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mm -101.41 116.19 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.45 1.1 . . . . 0.0 108.089 167.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -147.82 168.28 22.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.418 1.487 . . . . 0.0 112.365 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.74 -25.64 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.65 63.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.06 135.61 51.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.827 1.194 . . . . 0.0 112.037 172.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -16.1 60.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.84 -36.11 74.02 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -73.49 -18.97 61.05 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 121.378 -0.826 . . . . 0.0 113.175 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -91.57 -15.91 27.94 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.773 1.629 . . . . 0.0 115.107 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.66 146.21 55.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.897 0.879 . . . . 0.0 112.456 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -141.66 168.09 20.59 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.553 1.941 . . . . 0.0 111.139 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.24 131.64 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 124.996 1.319 . . . . 0.0 109.388 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -99.97 129.25 46.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.358 1.063 . . . . 0.0 111.211 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.82 100.89 7.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.196 1.798 . . . . 0.0 109.07 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -72.21 92.22 1.35 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.162 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 -22.47 66.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -167.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -115.65 10.1 15.43 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 171.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 58.37 29.07 17.66 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 117.943 2.572 . . . . 0.0 117.943 170.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -101.56 -8.05 22.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 119.84 -1.787 . . . . 0.0 115.788 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.57 6.75 88.22 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 124.467 1.032 . . . . 0.0 115.049 -177.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.4 131.08 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 125.009 1.323 . . . . 0.0 107.84 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -86.59 145.43 26.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.312 0.96 . . . . 0.0 113.434 -176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -143.42 149.98 38.41 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 126.363 1.865 . . . . 0.0 110.598 171.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.51 72.66 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -62.06 -19.8 63.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.662 1.585 . . . . 0.0 114.074 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -97.33 -5.39 36.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.537 1.535 . . . . 0.0 113.072 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.8 mt -90.19 155.97 18.65 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 124.413 1.085 . . . . 0.0 111.615 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -139.8 151.02 45.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.364 1.866 . . . . 0.0 111.103 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.7 p -72.71 164.95 25.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.808 1.243 . . . . 0.0 112.449 167.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.19 -42.68 79.57 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.347 -0.845 . . . . 0.0 111.53 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.99 -42.26 99.8 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.351 0.66 . . . . 0.0 112.454 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.92 -14.25 61.43 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.3 mt -97.25 1.25 49.42 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.921 1.689 . . . . 0.0 113.665 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 25.81 62.5 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.285 1.421 . . . . 0.0 114.704 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 59.9 mt -98.25 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 125.645 1.578 . . . . 0.0 110.517 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -119.82 -43.34 2.57 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.965 1.706 . . . . 0.0 113.849 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 84.1 p -155.41 159.4 39.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.453 -1.404 . . . . 0.0 113.096 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.12 134.59 54.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.76 1.224 . . . . 0.0 109.822 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -81.87 132.16 35.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.285 0.493 . . . . 0.0 110.758 172.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -92.27 -0.65 57.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.276 -0.89 . . . . 0.0 113.305 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.52 141.33 30.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.532 1.133 . . . . 0.0 111.625 166.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -144.94 171.37 14.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.018 1.327 . . . . 0.0 111.916 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -128.58 142.24 51.11 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.363 1.065 . . . . 0.0 109.599 163.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -76.76 127.69 33.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 123.825 0.85 . . . . 0.0 111.07 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.2 -20.62 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.739 1.616 . . . . 0.0 114.859 -169.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 47.7 41.79 14.36 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.459 1.904 . . . . 0.0 114.952 172.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.29 115.16 15.76 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 111.982 -173.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -64.08 122.73 17.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.807 0.843 . . . . 0.0 110.103 171.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.23 14.25 22.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.641 1.577 . . . . 0.0 112.528 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.3 165.74 32.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 125.394 1.473 . . . . 0.0 114.394 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 56.73 16.1 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.6 0.48 52.97 Favored Glycine 0 C--N 1.34 0.766 0 C-N-CA 125.561 1.553 . . . . 0.0 115.066 -176.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.46 135.88 35.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.914 1.357 . . . . 0.0 111.819 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.5 m -138.33 126.04 22.26 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.927 1.291 . . . . 0.0 111.62 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.27 104.53 12.65 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.872 -1.143 . . . . 0.0 109.342 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.62 20.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.673 0.789 . . . . 0.0 112.424 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -128.71 136.5 50.68 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.374 1.87 . . . . 0.0 110.25 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -127.62 141.7 51.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 125.274 1.43 . . . . 0.0 112.267 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.78 -155.0 7.0 Favored Glycine 0 C--N 1.338 0.671 0 C-N-CA 126.916 2.198 . . . . 0.0 111.573 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 99.5 p -130.11 163.05 27.43 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -121.36 160.52 23.86 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.657 1.583 . . . . 0.0 110.039 161.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.9 m -110.74 138.92 46.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.659 1.183 . . . . 0.0 110.127 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.31 167.84 13.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.312 1.845 . . . . 0.0 112.976 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 11.2 p -57.38 -24.84 57.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.278 1.431 . . . . 0.0 113.576 171.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -95.6 13.84 24.91 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 113.655 173.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 76.25 -9.82 18.46 Favored Glycine 0 C--N 1.338 0.642 0 O-C-N 120.666 -1.271 . . . . 0.0 116.132 174.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.8 p -70.39 159.89 33.34 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.128 1.371 . . . . 0.0 112.274 170.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.9 p -115.41 153.1 31.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.54 163.12 35.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.737 2.015 . . . . 0.0 111.675 -174.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.75 145.05 34.65 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.4 ptm -149.8 166.64 28.84 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 164.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.56 173.16 45.03 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -86.81 104.41 16.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 110.376 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 45.4 tp -93.42 116.61 29.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.427 1.491 . . . . 0.0 110.649 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 68.1 mt -74.97 124.54 27.13 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 57.4 mt . . . . . 0 N--CA 1.445 -0.7 0 C-N-CA 124.547 1.139 . . . . 0.0 111.433 -169.045 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.482 0 N-CA-C 113.428 0.511 . . . . 0.0 113.428 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.86 130.1 43.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.49 144.96 50.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.646 2.378 . . . . 0.0 111.273 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.45 134.28 55.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.339 1.456 . . . . 0.0 110.453 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -81.46 112.25 18.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.355 0.662 . . . . 0.0 109.305 165.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 mt -90.82 -42.13 10.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -90.36 9.29 29.52 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.49 38.07 29.46 Favored Glycine 0 CA--C 1.523 0.59 0 O-C-N 120.809 -1.182 . . . . 0.0 115.577 161.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -137.92 13.17 2.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.48 1.112 . . . . 0.0 113.549 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.81 159.02 30.55 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 126.456 1.979 . . . . 0.0 114.081 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.86 130.66 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 O-C-N 121.473 -1.016 . . . . 0.0 108.932 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -118.72 141.5 48.56 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.084 0.954 . . . . 0.0 112.777 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -136.65 138.22 40.88 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.244 1.017 . . . . 0.0 113.309 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.223 -0.327 0 C-N-CA 126.33 1.852 . . . . 0.0 110.633 -169.707 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.399 0.618 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.76 146.47 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 123.028 1.394 . . . . 0.0 113.077 175.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -56.92 154.37 9.58 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 126.612 1.965 . . . . 0.0 111.976 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.12 -18.24 65.22 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.27 -19.0 54.57 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -110.32 -176.73 3.06 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.309 1.844 . . . . 0.0 112.174 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.56 166.11 37.11 Favored Glycine 0 CA--C 1.519 0.301 0 O-C-N 121.135 -0.978 . . . . 0.0 114.474 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.1 mt -97.93 140.8 31.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.644 1.177 . . . . 0.0 111.27 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.34 129.15 36.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.99 0.516 . . . . 0.0 109.661 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.3 m -145.12 165.2 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.347 1.459 . . . . 0.0 111.883 -173.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -146.45 130.89 17.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.007 0.923 . . . . 0.0 109.958 159.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.69 115.65 9.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.9 -14.54 50.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -170.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -130.37 5.99 4.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.4 23.57 73.5 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-O 118.921 -0.933 . . . . 0.0 115.342 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -85.88 -1.02 56.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.227 1.411 . . . . 0.0 114.522 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.9 11.56 83.7 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 125.033 1.302 . . . . 0.0 115.306 175.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.42 155.0 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.285 1.834 . . . . 0.0 112.097 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.99 112.39 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 125.751 1.62 . . . . 0.0 107.735 167.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -133.72 -2.43 2.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -139.02 146.84 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.868 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.49 -26.84 64.99 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.62 1.105 . . . . 0.0 115.614 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.39 -2.72 56.45 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.304 1.552 . . . . 0.0 114.631 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.76 -20.11 50.7 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.971 1.26 . . . . 0.0 112.413 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.54 163.14 23.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.335 2.254 . . . . 0.0 110.052 167.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 63.8 m-85 -99.78 106.77 18.69 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 121.356 -0.84 . . . . 0.0 110.514 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.31 -159.3 22.19 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.572 1.082 . . . . 0.0 112.946 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -75.84 6.8 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -94.71 -8.17 38.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.372 1.469 . . . . 0.0 112.98 166.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.8 m -77.51 136.93 38.37 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 119.758 1.163 . . . . 0.0 111.342 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -104.35 133.81 48.62 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.45 1.5 . . . . 0.0 110.529 173.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.2 mt -94.54 170.1 9.71 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.467 1.907 . . . . 0.0 112.216 -171.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.87 -22.95 65.09 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.523 -1.361 . . . . 0.0 114.5 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -78.9 2.02 21.58 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.26 -3.76 85.3 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 126.316 1.913 . . . . 0.0 115.051 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -84.75 157.6 20.98 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 120.373 2.086 . . . . 0.0 113.404 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -83.42 139.5 32.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.869 -1.145 . . . . 0.0 111.779 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.09 58.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.827 1.251 . . . . 0.0 112.907 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -72.06 -32.43 67.07 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.135 -0.978 . . . . 0.0 113.513 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.88 170.47 22.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.192 1.797 . . . . 0.0 111.853 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.34 -24.72 65.91 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.999 1.285 . . . . 0.0 115.011 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -70.65 -44.09 67.84 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 118.383 1.092 . . . . 0.0 111.84 173.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.56 72.73 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 118.97 0.804 . . . . 0.0 112.478 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.65 -51.54 64.73 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.377 0.671 . . . . 0.0 112.234 170.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.2 tp -72.08 -32.76 67.34 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 121.045 -1.035 . . . . 0.0 113.256 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.1 61.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.81 -20.8 64.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.007 -1.058 . . . . 0.0 112.953 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.6 mt -96.62 1.26 51.0 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -164.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -73.75 124.02 25.23 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.728 1.149 . . . . 0.0 111.867 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.9 p -89.61 -13.7 36.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.514 1.525 . . . . 0.0 114.716 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -110.54 -22.42 11.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -168.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.73 30.16 66.53 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 119.033 0.833 . . . . 0.0 113.311 -166.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -97.75 -5.24 35.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 124.772 1.229 . . . . 0.0 113.018 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.6 t30 62.11 28.56 17.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.981 1.712 . . . . 0.0 114.451 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.1 pt -135.02 153.56 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.415 1.486 . . . . 0.0 111.284 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -99.72 116.2 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -146.73 177.11 9.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.73 1.612 . . . . 0.0 111.328 -173.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.72 -16.6 41.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -173.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -20.5 65.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 170.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -91.3 139.89 30.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.046 1.739 . . . . 0.0 112.939 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.82 81.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.69 67.86 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -57.08 -30.84 64.65 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.603 1.161 . . . . 0.0 113.289 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -80.69 -20.72 42.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -111.1 -12.83 14.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 125.625 1.57 . . . . 0.0 114.732 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.3 141.53 58.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.873 1.269 . . . . 0.0 112.355 169.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -136.74 165.47 25.84 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.027 1.731 . . . . 0.0 111.324 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.48 126.21 75.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 124.379 1.072 . . . . 0.0 108.139 167.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -91.13 118.55 30.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.734 0.697 . . . . 0.0 110.195 172.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -100.41 117.45 34.62 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.259 1.023 . . . . 0.0 109.965 165.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -83.2 74.43 10.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.918 -1.114 . . . . 0.0 109.822 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.1 mt -58.24 -31.09 67.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 126.121 1.768 . . . . 0.0 114.587 -166.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -111.03 14.15 21.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.095 1.358 . . . . 0.0 114.425 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 57.25 60.49 2.91 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.172 1.789 . . . . 0.0 114.284 159.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -141.49 7.24 1.92 Allowed 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.66 -0.91 47.92 Favored Glycine 0 N--CA 1.44 -1.077 0 O-C-N 120.12 -1.613 . . . . 0.0 115.878 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.6 mt -98.18 128.64 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 p -87.25 156.91 19.45 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.03 -1.043 . . . . 0.0 112.383 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -137.69 156.27 48.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 124.8 1.24 . . . . 0.0 110.918 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.48 -25.15 66.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -76.44 -22.62 54.4 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.486 1.514 . . . . 0.0 113.885 168.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -85.5 -17.21 37.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.495 1.518 . . . . 0.0 113.619 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.35 126.1 30.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.763 1.225 . . . . 0.0 110.482 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 -111.16 143.74 41.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.119 2.168 . . . . 0.0 110.968 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.2 p -77.15 161.22 28.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.821 1.648 . . . . 0.0 111.213 168.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.42 -33.21 71.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.43 -0.794 . . . . 0.0 111.317 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.77 -41.7 82.89 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.401 1.08 . . . . 0.0 113.095 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.33 -25.62 62.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 119.22 0.918 . . . . 0.0 113.129 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.71 4.08 23.19 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 125.505 1.522 . . . . 0.0 112.823 169.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.37 26.2 74.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.576 1.56 . . . . 0.0 113.987 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.8 mt -82.78 137.93 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 119.034 1.417 . . . . 0.0 110.536 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -99.48 -45.38 5.84 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.415 1.886 . . . . 0.0 111.365 170.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.8 p -156.58 159.76 38.82 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 28.7 mt -112.65 136.56 52.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 126.386 1.874 . . . . 0.0 108.832 167.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -85.29 137.1 33.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.687 0.795 . . . . 0.0 111.202 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.57 -11.49 39.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.214 1.005 . . . . 0.0 113.51 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.93 142.01 35.51 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.74 0.816 . . . . 0.0 111.509 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -145.96 172.92 12.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.651 1.18 . . . . 0.0 111.669 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -133.84 143.09 48.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.124 1.77 . . . . 0.0 109.871 166.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -66.98 133.55 50.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.591 1.157 . . . . 0.0 109.884 171.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.1 p -136.6 -37.28 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -167.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.2 m120 50.08 56.91 7.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 127.183 2.193 . . . . 0.0 114.518 171.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -107.21 131.95 53.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.951 1.701 . . . . 0.0 112.577 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -75.86 125.01 28.27 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 123.696 0.798 . . . . 0.0 110.178 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 19.2 mt -100.54 -27.1 13.59 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.13 7.63 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.998 1.285 . . . . 0.0 112.67 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 53.88 30.16 11.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.271 1.828 . . . . 0.0 114.55 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.29 12.84 81.66 Favored Glycine 0 C--N 1.334 0.436 0 O-C-N 120.835 -1.165 . . . . 0.0 115.003 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -100.56 142.28 32.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 118.989 1.395 . . . . 0.0 110.951 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.3 m -135.9 123.99 22.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.584 0.753 . . . . 0.0 111.893 -169.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.61 110.43 14.93 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.857 -1.152 . . . . 0.0 109.301 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.98 -43.99 11.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -128.15 145.29 51.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.555 1.542 . . . . 0.0 110.233 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -138.15 144.88 40.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.392 1.077 . . . . 0.0 113.432 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.7 -160.03 9.93 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 127.672 2.558 . . . . 0.0 113.07 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -127.07 168.1 15.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -138.84 159.55 41.86 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.415 1.486 . . . . 0.0 111.239 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 m -122.66 143.48 49.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.256 1.423 . . . . 0.0 111.513 -170.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.91 162.18 13.23 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.405 1.882 . . . . 0.0 113.091 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 38.5 p -60.27 -36.08 76.98 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.954 -1.091 . . . . 0.0 112.358 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -76.69 2.73 13.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.56 0.86 89.32 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 79.0 p -72.94 161.1 31.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 119.827 1.813 . . . . 0.0 112.395 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 18.7 p -121.55 150.47 41.61 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.724 1.609 . . . . 0.0 112.856 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.83 172.18 13.38 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 127.16 2.184 . . . . 0.0 111.531 -170.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.0 140.57 48.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.87 1.268 . . . . 0.0 113.983 -165.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 24.6 ptm -149.96 169.12 21.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.664 1.185 . . . . 0.0 112.139 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.99 177.23 48.27 Favored Glycine 0 CA--C 1.52 0.402 0 O-C-N 121.429 -0.795 . . . . 0.0 114.184 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.28 119.96 31.77 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 124.012 0.925 . . . . 0.0 110.628 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.1 tp -110.81 119.48 39.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.233 1.813 . . . . 0.0 110.62 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.47 105.45 6.5 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.434 1.494 . . . . 0.0 109.644 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.445 -0.706 0 C-N-CA 125.347 1.459 . . . . 0.0 110.834 -179.369 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.253 0 N-CA-C 112.637 0.207 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.57 125.87 26.07 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.25 148.22 51.16 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.423 2.289 . . . . 0.0 111.463 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.77 137.31 52.29 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.504 1.522 . . . . 0.0 110.489 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -79.01 105.24 10.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.029 1.331 . . . . 0.0 109.722 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -31.99 19.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -101.89 -5.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.4 5.46 63.46 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 118.459 2.144 . . . . 0.0 118.459 167.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -96.9 21.69 9.3 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.442 1.621 . . . . 0.0 113.958 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.99 158.89 33.2 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 126.076 1.798 . . . . 0.0 113.469 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.41 123.31 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.75 160.8 37.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -174.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.5 p -127.92 160.98 30.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.775 1.63 . . . . 0.0 113.611 -166.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.447 -0.598 0 C-N-CA 126.107 1.763 . . . . 0.0 110.271 175.513 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 122.035 0.922 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.52 138.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 O-C-N 121.374 -0.829 . . . . 0.0 111.236 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.0 t -61.37 157.68 16.18 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.202 1.401 . . . . 0.0 113.328 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.17 -12.0 60.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.02 -24.25 30.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 120.059 -1.651 . . . . 0.0 112.941 171.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.31 -179.19 3.85 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 127.738 2.415 . . . . 0.0 112.47 -176.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.47 169.11 36.89 Favored Glycine 0 C--N 1.339 0.713 0 O-C-N 120.132 -1.605 . . . . 0.0 115.892 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -98.09 144.2 27.83 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 125.432 1.493 . . . . 0.0 112.101 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.8 128.51 33.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.303 0.641 . . . . 0.0 109.963 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.5 m -143.61 163.28 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 124.319 1.048 . . . . 0.0 113.827 -171.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -154.05 114.57 3.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.658 1.183 . . . . 0.0 111.805 164.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -69.27 120.88 15.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.745 1.218 . . . . 0.0 110.619 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.0 mt -78.1 -6.7 55.49 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 120.88 -1.138 . . . . 0.0 113.568 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -88.15 -17.47 30.86 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.865 1.266 . . . . 0.0 112.608 167.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.18 27.03 73.88 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.959 -1.088 . . . . 0.0 115.183 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -108.17 -17.17 14.09 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.216 1.406 . . . . 0.0 113.29 176.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.14 23.66 29.04 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 125.478 1.513 . . . . 0.0 115.43 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.6 114.55 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.552 1.176 . . . . 0.0 108.639 172.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -90.07 104.65 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.79 1.636 . . . . 0.0 108.509 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -140.99 -5.23 1.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -174.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -119.93 142.92 48.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.388 1.475 . . . . 0.0 111.789 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.06 -21.39 56.07 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.749 1.059 . . . . 0.0 115.749 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.05 -0.97 15.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 173.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -105.33 -11.39 16.5 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.777 2.031 . . . . 0.0 113.141 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.5 mt -88.38 163.68 15.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.839 2.056 . . . . 0.0 110.002 158.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -101.5 112.49 25.06 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.773 0.829 . . . . 0.0 111.918 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.29 -160.9 25.84 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 126.227 1.87 . . . . 0.0 112.796 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.16 -19.54 62.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.29 7.82 23.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.519 1.128 . . . . 0.0 112.681 175.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -99.06 145.44 27.11 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 120.383 -1.448 . . . . 0.0 110.974 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.5 155.37 23.39 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.734 0.778 . . . . 0.0 113.049 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.9 mt -90.74 172.5 8.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 109.816 162.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.31 -14.72 63.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -89.51 -1.7 58.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 120.662 -1.273 . . . . 0.0 113.983 173.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.08 3.32 85.26 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 125.35 1.452 . . . . 0.0 115.425 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.0 p -78.08 157.3 29.58 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 119.117 1.458 . . . . 0.0 111.142 168.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -84.9 143.56 28.94 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 120.288 -1.508 . . . . 0.0 112.419 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.02 155.64 38.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -62.7 -42.29 99.57 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.339 1.055 . . . . 0.0 111.87 168.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -159.24 163.96 35.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.802 1.641 . . . . 0.0 112.154 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.27 93.93 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.127 1.346 . . . . 0.0 115.483 -174.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -63.79 -30.68 71.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.123 1.461 . . . . 0.0 112.748 173.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.64 62.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.254 0.934 . . . . 0.0 112.237 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.97 79.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.16 -35.48 61.6 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 124.916 1.286 . . . . 0.0 112.34 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.02 -19.02 64.88 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.54 -20.58 64.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.787 1.235 . . . . 0.0 113.934 171.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.7 mt -94.2 -4.69 48.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.757 1.223 . . . . 0.0 114.216 -171.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -72.46 125.53 27.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 118.961 0.801 . . . . 0.0 110.777 170.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -90.73 -33.65 15.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -171.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -112.65 -3.4 14.3 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.004 1.721 . . . . 0.0 115.095 -171.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.97 21.08 77.01 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 115.771 1.068 . . . . 0.0 115.771 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -77.24 -5.44 49.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.201 1.501 . . . . 0.0 113.077 172.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.261 8.2 t30 63.74 25.23 14.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.897 2.479 . . . . 0.0 114.038 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.07 151.72 35.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.322 1.449 . . . . 0.0 111.054 169.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.4 mm -97.86 114.83 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -147.65 172.77 13.53 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.718 1.207 . . . . 0.0 111.813 -172.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.44 -17.49 31.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -167.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.19 -18.24 50.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.45 135.09 37.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.274 1.03 . . . . 0.0 110.956 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.17 75.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 120.716 -1.24 . . . . 0.0 113.858 -173.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.46 66.74 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.91 -27.24 68.68 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 119.708 1.14 . . . . 0.0 113.312 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.37 -16.03 50.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -113.21 -16.78 12.49 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 115.837 1.792 . . . . 0.0 115.837 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.61 148.05 49.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.055 1.342 . . . . 0.0 110.905 166.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -138.29 170.73 15.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.508 1.923 . . . . 0.0 110.405 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -120.64 123.95 71.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 C-N-CA 124.748 1.219 . . . . 0.0 109.635 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -93.49 114.14 26.44 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.703 1.201 . . . . 0.0 110.976 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -109.16 97.07 6.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.441 1.097 . . . . 0.0 108.84 167.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.79 122.12 21.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.539 0.736 . . . . 0.0 110.371 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.2 mt -83.39 -5.49 59.16 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.144 0.978 . . . . 0.0 113.355 -173.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -111.65 -11.63 13.99 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.251 1.821 . . . . 0.0 112.248 170.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 51.08 35.63 13.49 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.864 2.066 . . . . 0.0 113.738 -166.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -101.25 -11.31 19.59 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.67 16.61 76.1 Favored Glycine 0 N--CA 1.446 -0.635 0 O-C-N 121.065 -1.022 . . . . 0.0 114.47 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.6 113.94 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 166.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -85.79 139.79 31.01 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.899 -1.125 . . . . 0.0 112.977 -165.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -129.83 144.15 51.16 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.835 1.254 . . . . 0.0 109.293 168.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.22 -27.66 68.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -172.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -61.55 -27.4 68.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.97 0.908 . . . . 0.0 112.924 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.3 -10.0 59.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.341 1.456 . . . . 0.0 113.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.6 mp -98.4 130.08 45.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.071 0.948 . . . . 0.0 109.895 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -115.79 154.21 30.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.806 2.042 . . . . 0.0 111.36 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.1 p -80.63 152.86 28.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.279 1.032 . . . . 0.0 112.833 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.49 -35.89 80.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.571 0.749 . . . . 0.0 111.556 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.94 -33.01 65.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.01 -34.88 79.1 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 119.053 0.842 . . . . 0.0 112.21 172.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.34 7.84 18.11 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.808 1.243 . . . . 0.0 113.717 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.46 27.59 73.7 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.127 -0.983 . . . . 0.0 114.74 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -83.23 132.24 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 119.106 1.453 . . . . 0.0 110.285 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -94.59 -51.73 4.61 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 111.016 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.4 p -157.18 160.31 38.61 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.477 1.111 . . . . 0.0 112.767 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt -112.33 136.18 52.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.882 1.673 . . . . 0.0 110.252 171.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -90.36 125.79 35.66 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.158 0.983 . . . . 0.0 111.571 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.66 -15.28 59.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.24 0.927 . . . . 0.0 113.219 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.02 140.12 48.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 119.822 1.192 . . . . 0.0 111.562 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -145.17 166.96 23.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.972 0.909 . . . . 0.0 112.68 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -129.16 148.34 51.09 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.802 2.041 . . . . 0.0 110.195 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -78.35 126.46 30.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.272 1.429 . . . . 0.0 110.95 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.65 -27.19 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 44.69 41.01 4.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 126.497 1.919 . . . . 0.0 115.739 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -76.57 116.53 17.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.76 0.824 . . . . 0.0 110.238 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -83.29 107.5 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.695 0.798 . . . . 0.0 109.359 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.3 mt -91.28 5.5 48.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -168.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.71 171.85 37.56 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 124.598 1.095 . . . . 0.0 113.156 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.02 29.57 3.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.247 1.819 . . . . 0.0 114.799 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.62 89.22 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 125.46 1.505 . . . . 0.0 116.278 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -95.31 145.68 24.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.473 1.636 . . . . 0.0 112.84 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.1 m -144.89 137.93 26.6 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.126 1.37 . . . . 0.0 109.958 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.0 tp -96.77 107.32 19.77 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 0.0 109.691 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.52 -49.75 8.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -127.39 141.92 51.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 126.787 2.035 . . . . 0.0 109.563 -175.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -138.89 142.98 38.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.316 1.046 . . . . 0.0 112.383 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.73 -147.89 4.62 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 127.14 2.305 . . . . 0.0 110.708 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 85.3 p -129.25 166.03 20.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -130.42 159.77 36.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.995 1.718 . . . . 0.0 109.418 157.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 98.6 m -111.86 134.46 53.4 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.598 1.159 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -92.9 159.05 15.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.11 1.764 . . . . 0.0 111.789 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.0 p -66.73 -17.99 65.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.22 1.408 . . . . 0.0 114.766 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -83.11 3.15 31.87 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.15 1.78 . . . . 0.0 114.607 170.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.5 2.81 87.02 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.394 1.473 . . . . 0.0 115.806 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 5.3 m -82.79 148.74 27.62 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.572 1.686 . . . . 0.0 110.844 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 35.8 p -105.95 146.59 29.83 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.561 0.744 . . . . 0.0 111.455 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.79 155.65 46.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 111.366 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -71.69 144.68 49.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.754 0.788 . . . . 0.0 112.395 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.1 ptm -141.15 161.42 37.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.606 0.762 . . . . 0.0 109.915 159.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.74 173.24 46.15 Favored Glycine 0 C--N 1.336 0.573 0 O-C-N 121.987 -0.446 . . . . 0.0 114.068 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -86.52 102.97 14.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.943 0.897 . . . . 0.0 110.752 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 65.2 tp -102.48 108.34 19.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.642 1.977 . . . . 0.0 109.131 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.08 136.31 44.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.037 1.335 . . . . 0.0 110.206 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.447 -0.605 0 C-N-CA 126.657 1.983 . . . . 0.0 110.77 -163.865 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.187 0 N-CA-C 114.093 0.766 . . . . 0.0 114.093 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.75 124.83 24.38 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.71 143.82 48.56 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 126.471 1.909 . . . . 0.0 111.514 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -117.12 134.97 54.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 109.872 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -80.44 109.1 14.62 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.142 0.977 . . . . 0.0 109.852 166.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.25 -33.83 17.95 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -99.32 -6.49 27.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 42.66 5.15 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 167.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -138.36 20.27 2.75 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.168 1.387 . . . . 0.0 113.787 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.62 165.47 41.35 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.166 1.841 . . . . 0.0 114.135 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.8 138.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 109.497 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -146.71 158.33 43.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.807 -1.183 . . . . 0.0 113.281 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.0 p -130.82 158.68 39.51 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -164.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -129.75 170.71 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 127.829 2.452 . . . . 0.0 110.279 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.31 150.11 40.37 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.0 p -125.42 145.23 50.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 127.221 2.208 . . . . 0.0 112.347 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -150.58 149.68 30.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.92 1.288 . . . . 0.0 111.808 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.84 -121.26 5.71 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -168.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -58.03 150.96 19.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.053 0.926 . . . . 0.0 111.716 163.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m 59.86 21.52 10.45 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.97 -151.36 8.7 Favored Glycine 0 C--N 1.342 0.911 0 N-CA-C 116.843 1.497 . . . . 0.0 116.843 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 m -63.48 123.09 17.89 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.754 1.222 . . . . 0.0 111.804 170.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -68.15 132.28 46.9 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.535 0.734 . . . . 0.0 109.582 167.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -130.27 19.87 5.32 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.326 1.451 . . . . 0.0 114.177 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -75.69 118.51 18.6 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.618 -1.301 . . . . 0.0 112.936 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -64.44 -29.84 70.88 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.305 1.042 . . . . 0.0 113.358 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -71.93 -46.16 58.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 123.978 0.911 . . . . 0.0 111.745 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -70.69 -44.56 66.72 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.557 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -149.6 -65.43 0.22 Allowed 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 123.937 0.895 . . . . 0.0 112.475 -169.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.38 165.26 20.22 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 125.082 1.325 . . . . 0.0 112.594 -169.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.1 mt -75.95 133.96 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -131.77 160.22 36.19 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.625 1.57 . . . . 0.0 111.428 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.3 m -70.52 129.21 38.62 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.228 1.011 . . . . 0.0 111.443 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.35 144.81 56.86 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.554 0.741 . . . . 0.0 112.682 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.36 128.67 34.46 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.838 0.855 . . . . 0.0 111.9 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.03 149.12 17.92 Favored Glycine 0 N--CA 1.441 -1.024 0 C-N-CA 124.366 0.984 . . . . 0.0 113.617 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -148.15 167.74 24.26 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 124.932 1.293 . . . . 0.0 110.994 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.62 151.92 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 123.98 0.912 . . . . 0.0 113.027 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 p -53.65 163.19 0.71 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.872 1.269 . . . . 0.0 114.394 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.38 -8.66 48.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -87.59 -32.77 19.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.613 -1.304 . . . . 0.0 113.133 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -100.55 -167.94 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.126 1.771 . . . . 0.0 112.934 -170.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.28 170.13 39.37 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 120.357 -1.465 . . . . 0.0 115.305 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.7 mt -110.79 146.63 36.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.387 1.475 . . . . 0.0 111.939 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 tp -84.16 130.21 34.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.573 0.749 . . . . 0.0 111.156 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.34 165.05 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 C-N-CA 124.47 1.108 . . . . 0.0 112.943 -172.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -145.19 125.1 13.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.127 1.771 . . . . 0.0 109.416 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -80.72 121.76 26.29 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 118.53 0.605 . . . . 0.0 109.457 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.0 mt -105.26 -3.21 23.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.579 1.151 . . . . 0.0 113.94 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -125.78 1.24 7.43 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.29 78.97 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 115.814 1.086 . . . . 0.0 115.814 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -85.53 2.75 43.52 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 119.372 1.586 . . . . 0.0 114.537 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.33 3.28 90.68 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.54 1.543 . . . . 0.0 115.917 174.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.4 pt -138.59 163.44 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 126.15 1.78 . . . . 0.0 112.49 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.6 mm -101.02 112.28 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.0 1.32 . . . . 0.0 109.561 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -146.85 1.04 0.77 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -124.9 148.14 48.47 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 124.939 1.296 . . . . 0.0 111.312 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.32 -22.59 44.86 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 116.919 1.528 . . . . 0.0 116.919 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.72 -10.48 55.56 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.578 1.689 . . . . 0.0 115.298 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -84.9 -13.15 51.77 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -171.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.34 114.41 26.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.131 1.772 . . . . 0.0 109.266 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -64.37 124.96 23.1 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -169.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.71 -164.74 33.39 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.325 0.964 . . . . 0.0 113.014 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -71.17 24.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -128.13 -11.03 5.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.77 2.028 . . . . 0.0 113.056 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -73.26 150.31 42.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 118.988 0.813 . . . . 0.0 110.283 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -104.76 144.99 30.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.916 0.886 . . . . 0.0 113.087 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.13 175.01 10.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.652 2.781 . . . . 0.0 110.983 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.34 69.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -81.52 -3.62 53.65 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.477 -1.389 . . . . 0.0 114.46 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.16 4.42 74.49 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 120.635 -1.291 . . . . 0.0 115.074 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -70.61 147.97 48.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.613 1.706 . . . . 0.0 110.666 167.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -72.2 143.57 48.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.89 -1.131 . . . . 0.0 111.591 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.41 144.83 44.14 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.198 0.999 . . . . 0.0 111.936 171.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -75.14 -27.23 59.69 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.48 ' CD2' HE21 ' A' ' 149' ' ' GLN . 0.7 OUTLIER -159.18 171.0 20.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.744 2.017 . . . . 0.0 110.959 176.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.02 -27.18 66.73 Favored Glycine 0 CA--C 1.521 0.417 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.672 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -68.55 -43.3 76.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 118.837 1.318 . . . . 0.0 112.348 174.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.29 77.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.824 -0.547 . . . . 0.0 112.409 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.49 84.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.792 1.237 . . . . 0.0 113.287 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -78.67 -34.48 46.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 112.979 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.14 -24.6 64.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.1 -23.04 18.69 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 124.954 1.301 . . . . 0.0 114.056 171.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.6 mt -96.43 -5.0 40.7 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.693 1.197 . . . . 0.0 114.011 -170.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -69.51 121.29 16.74 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.154 0.888 . . . . 0.0 109.967 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -84.45 -37.94 20.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -110.87 -10.38 14.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.5 37.85 11.58 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 120.37 1.441 . . . . 0.0 115.047 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -99.48 -2.34 36.21 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.104 1.362 . . . . 0.0 112.41 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.88 25.31 13.96 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.136 2.174 . . . . 0.0 114.991 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.1 pt -132.4 152.93 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.177 1.391 . . . . 0.0 111.56 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.2 mm -100.68 113.4 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -143.45 167.28 22.57 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.234 1.814 . . . . 0.0 111.89 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -19.94 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 -169.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 -21.04 62.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -75.68 125.78 29.72 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.081 1.352 . . . . 0.0 110.597 166.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.9 67.79 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.21 -19.18 63.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -62.0 -35.26 77.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 120.382 -1.448 . . . . 0.0 112.526 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -69.69 -19.26 63.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.474 -0.766 . . . . 0.0 113.057 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -98.49 -24.04 15.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.569 1.947 . . . . 0.0 113.524 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.29 152.28 44.14 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.911 0.884 . . . . 0.0 112.445 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -141.02 164.41 30.35 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.32 1.848 . . . . 0.0 110.485 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.4 t -115.02 132.46 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 124.539 1.136 . . . . 0.0 109.087 168.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -98.44 118.22 34.62 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.006 1.322 . . . . 0.0 109.838 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -112.57 98.2 7.09 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.759 1.224 . . . . 0.0 108.608 168.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.78 123.2 25.85 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.889 0.476 . . . . 0.0 110.454 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.9 mt -87.23 -11.41 49.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -115.79 -2.25 12.44 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 164.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.264 5.4 mp0 58.73 30.25 19.73 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.931 2.092 . . . . 0.0 115.403 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -79.6 -19.95 48.08 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.807 -1.183 . . . . 0.0 113.13 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.8 33.65 71.15 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 124.643 1.116 . . . . 0.0 112.528 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.2 mt -122.78 120.23 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 126.49 1.916 . . . . 0.0 106.538 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.2 t -87.74 134.76 33.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -157.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -123.37 151.16 42.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.512 1.525 . . . . 0.0 110.909 166.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.56 75.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -166.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.46 -16.79 64.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.58 -16.3 54.5 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 125.977 1.711 . . . . 0.0 113.134 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.53 146.0 26.55 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.821 0.848 . . . . 0.0 110.252 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -139.44 153.37 47.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.962 2.105 . . . . 0.0 110.759 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -79.61 165.36 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.106 0.962 . . . . 0.0 112.359 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.39 -38.01 74.62 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.306 -0.872 . . . . 0.0 111.488 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.68 -38.35 80.27 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.858 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.56 -28.69 67.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 120.085 1.311 . . . . 0.0 113.086 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.2 mt -83.68 1.32 43.09 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.101 1.761 . . . . 0.0 112.967 173.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.11 26.15 72.98 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.173 -0.954 . . . . 0.0 114.289 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 98.4 mt -85.28 133.52 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 118.571 1.185 . . . . 0.0 110.246 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.56 -50.21 5.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.311 1.844 . . . . 0.0 111.655 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.1 p -158.21 161.75 37.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.261 1.025 . . . . 0.0 112.878 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.3 mp -115.61 139.62 49.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.253 1.421 . . . . 0.0 109.362 167.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -86.84 137.39 32.44 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.867 0.867 . . . . 0.0 111.518 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.25 -11.29 38.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 119.049 0.841 . . . . 0.0 113.119 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.71 135.89 39.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.951 1.251 . . . . 0.0 112.01 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -141.2 172.06 13.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.318 1.047 . . . . 0.0 113.648 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.46 142.81 45.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.478 2.311 . . . . 0.0 109.973 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -74.22 139.6 44.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 111.382 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.47 -35.65 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.957 1.303 . . . . 0.0 114.065 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 51.31 40.81 27.18 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.666 1.586 . . . . 0.0 113.644 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -89.69 121.09 31.54 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.766 1.626 . . . . 0.0 112.221 -168.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -71.22 125.08 25.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.1 mt -97.32 -34.31 11.11 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.931 0.892 . . . . 0.0 113.141 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.91 158.85 7.75 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 125.677 1.608 . . . . 0.0 112.6 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.5 m120 46.31 36.09 3.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 127.368 2.267 . . . . 0.0 114.97 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.99 -4.72 85.52 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 125.59 1.566 . . . . 0.0 116.745 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -83.56 135.41 34.64 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.091 1.445 . . . . 0.0 111.339 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 62.0 m -135.2 123.0 22.39 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 123.857 0.863 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -76.79 114.48 15.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.09 -52.78 8.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 118.794 0.725 . . . . 0.0 111.874 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.48 HE21 ' CD2' ' A' ' 76' ' ' HIS . 6.9 pt20 -141.37 147.3 37.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 125.634 1.574 . . . . 0.0 111.052 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -133.65 142.09 47.9 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.939 1.295 . . . . 0.0 112.669 -173.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -140.33 -147.99 5.08 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 127.27 2.367 . . . . 0.0 111.233 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.9 m -126.24 164.77 20.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.898 1.279 . . . . 0.0 113.526 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -132.78 163.37 29.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.674 1.589 . . . . 0.0 109.254 155.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.5 m -122.97 139.82 53.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.775 1.23 . . . . 0.0 110.698 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.14 157.66 16.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.588 1.955 . . . . 0.0 111.64 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.2 p -63.84 -24.49 67.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -69.59 -4.4 19.03 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 94.1 -0.29 66.47 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 126.157 1.837 . . . . 0.0 115.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 2.0 m -85.96 151.46 23.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 119.34 1.57 . . . . 0.0 111.578 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.3 p -107.69 153.92 22.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.349 1.06 . . . . 0.0 112.341 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.92 164.12 33.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.479 1.512 . . . . 0.0 111.191 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -80.13 145.86 32.14 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 122.508 1.147 . . . . 0.0 112.991 -173.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.0 ptm -144.5 160.74 40.6 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.808 0.843 . . . . 0.0 110.329 162.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -170.38 172.45 44.04 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 118.424 0.557 . . . . 0.0 113.691 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -90.91 114.45 26.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.6 0.714 . . . . 0.0 109.938 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.8 tp -105.3 121.74 44.49 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.997 1.719 . . . . 0.0 110.731 -171.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 51.5 mt -78.62 121.5 24.74 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.85 1.26 . . . . 0.0 108.787 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.66 137.46 39.03 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.969 1.308 . . . . 0.0 111.602 -172.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -74.87 142.59 44.08 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -158.76 167.26 29.94 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.288 1.835 . . . . 0.0 111.422 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -85.13 138.54 32.33 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.957 -1.089 . . . . 0.0 112.169 167.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -68.04 -7.38 28.74 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -171.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.71 -20.24 31.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -126.86 -26.26 3.21 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 18.7 m 51.17 22.06 1.22 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.839 1.656 . . . . 0.0 114.677 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 45.35 37.11 2.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 128.71 2.804 . . . . 0.0 115.756 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.04 149.02 50.59 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.229 -0.92 . . . . 0.0 112.969 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 94.7 mt -77.71 74.28 4.27 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.813 1.645 . . . . 0.0 110.775 173.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.249 1.075 0 C-N-CA 126.042 1.737 . . . . 0.0 113.76 178.555 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo . . . . . 0 CA--C 1.519 -0.252 0 N-CA-C 113.304 0.463 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.98 124.44 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.523 1.129 . . . . 0.0 112.703 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.81 143.29 49.49 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.585 2.354 . . . . 0.0 112.044 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -118.06 133.09 56.24 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 127.067 2.147 . . . . 0.0 109.703 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -74.16 120.69 20.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.6 -0.688 . . . . 0.0 109.329 167.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.45 -41.86 13.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -113.45 21.59 15.01 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.124 1.77 . . . . 0.0 114.96 -170.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.42 28.92 68.86 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 118.42 -1.211 . . . . 0.0 116.083 166.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -129.87 13.79 5.81 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.492 1.646 . . . . 0.0 114.324 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.49 162.03 38.04 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.911 1.243 . . . . 0.0 113.49 -173.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -78.86 120.86 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 O-C-N 121.781 -0.835 . . . . 0.0 109.457 -176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.96 132.59 38.27 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.926 1.29 . . . . 0.0 111.778 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -135.23 159.86 40.21 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.598 1.159 . . . . 0.0 113.811 -166.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.4 m -143.79 171.11 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 C-N-CA 127.311 2.244 . . . . 0.0 111.201 -172.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.05 163.46 27.84 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 172.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 p -65.72 145.74 55.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -140.19 -27.91 0.74 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 127.149 2.18 . . . . 0.0 113.78 171.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.41 168.03 27.96 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 124.551 1.072 . . . . 0.0 114.909 -171.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -151.79 150.21 29.9 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.673 1.189 . . . . 0.0 111.185 164.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m 51.53 35.81 15.41 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 126.046 1.738 . . . . 0.0 115.319 165.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.61 -0.83 68.19 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 125.53 1.538 . . . . 0.0 114.728 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -101.03 158.52 15.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.813 1.645 . . . . 0.0 112.803 171.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.44 136.58 43.35 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.539 1.536 . . . . 0.0 111.364 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -163.44 156.57 18.83 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.58 1.952 . . . . 0.0 111.334 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -105.82 -2.62 22.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -91.5 -114.64 0.08 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.448 1.499 . . . . 0.0 111.899 171.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -139.9 -20.76 0.89 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.037 1.335 . . . . 0.0 114.247 -173.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 45.37 53.09 8.48 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 127.24 2.216 . . . . 0.0 114.202 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -148.08 -38.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -172.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 158.88 173.05 26.78 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 126.72 2.105 . . . . 0.0 112.138 -177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.4 pt -82.21 -3.62 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -169.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -120.63 -5.76 9.72 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 175.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 m -76.59 136.87 39.25 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.989 1.315 . . . . 0.0 111.643 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.68 127.25 38.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.257 1.423 . . . . 0.0 111.057 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 p -155.34 155.49 33.77 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.214 1.406 . . . . 0.0 112.659 -164.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.58 -144.97 6.51 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 125.391 1.472 . . . . 0.0 112.096 169.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.26 168.72 25.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.106 1.362 . . . . 0.0 112.74 173.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.4 m -88.16 143.93 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -64.22 160.59 18.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.233 163.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.05 -17.43 52.33 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 120.798 -1.189 . . . . 0.0 114.133 169.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.82 -19.73 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 127.354 2.262 . . . . 0.0 114.595 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -137.41 170.36 16.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.016 2.126 . . . . 0.0 113.919 -176.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.88 153.55 19.8 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 123.989 0.804 . . . . 0.0 114.813 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 mt -101.21 139.32 37.06 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.274 1.83 . . . . 0.0 110.998 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 tp -77.03 127.76 33.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.222 0.609 . . . . 0.0 110.248 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.2 m -144.48 162.33 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.299 1.04 . . . . 0.0 112.64 -170.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -146.25 131.33 18.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.308 1.443 . . . . 0.0 109.921 164.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.77 123.41 23.27 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 122.899 0.48 . . . . 0.0 110.323 169.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.8 1.94 29.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.218 1.407 . . . . 0.0 113.701 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.92 13.45 3.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.48 9.82 69.47 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 170.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -80.84 -6.1 58.15 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.722 2.261 . . . . 0.0 114.034 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.34 89.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 124.895 1.236 . . . . 0.0 115.835 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.1 pt -135.42 166.79 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.914 1.686 . . . . 0.0 112.736 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -100.13 114.61 39.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 125.575 1.55 . . . . 0.0 109.469 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -147.28 -25.22 0.39 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -87.59 148.04 25.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 120.119 1.327 . . . . 0.0 110.866 172.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.22 -18.61 35.87 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 117.146 1.618 . . . . 0.0 117.146 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.68 -14.08 35.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -78.4 -24.5 46.25 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -89.87 134.31 34.27 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.271 1.028 . . . . 0.0 110.348 161.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -69.97 107.23 3.5 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 122.953 0.501 . . . . 0.0 111.885 -172.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.91 -171.53 23.97 Favored Glycine 0 C--N 1.341 0.846 0 C-N-CA 125.032 1.301 . . . . 0.0 112.1 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -71.34 1.87 5.62 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -100.22 -14.6 18.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.04 1.336 . . . . 0.0 112.902 170.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -68.36 149.53 49.28 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.629 1.172 . . . . 0.0 109.713 163.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -95.31 158.97 15.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.401 1.08 . . . . 0.0 113.513 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.45 169.88 17.41 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.291 1.436 . . . . 0.0 110.833 162.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.4 69.1 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -88.19 13.28 11.73 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 119.754 1.161 . . . . 0.0 113.943 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.49 1.6 86.61 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 126.016 1.769 . . . . 0.0 115.076 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -72.21 161.51 30.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 119.458 1.629 . . . . 0.0 112.487 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -68.82 148.97 49.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.117 0.567 . . . . 0.0 112.353 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.79 148.82 24.49 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 124.856 1.263 . . . . 0.0 111.275 171.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -77.19 -32.48 56.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.78 170.25 22.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 127.827 2.451 . . . . 0.0 111.006 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.53 -28.41 73.59 Favored Glycine 0 C--N 1.338 0.664 0 O-C-N 121.109 -0.995 . . . . 0.0 114.564 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.37 -41.1 94.15 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.833 1.316 . . . . 0.0 112.045 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.27 83.5 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 118.927 0.785 . . . . 0.0 112.554 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.5 81.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.75 -36.8 73.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.051 0.94 . . . . 0.0 112.914 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.51 -19.41 63.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.84 -17.99 64.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.5 mt -94.58 1.21 55.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.84 127.04 32.22 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.329 0.968 . . . . 0.0 110.908 164.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.9 m -88.71 -15.94 33.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -109.61 -21.78 12.28 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -159.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.66 38.34 57.23 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 123.884 0.754 . . . . 0.0 112.664 -165.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 43.3 p30 -110.08 -0.32 18.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.715 1.206 . . . . 0.0 113.253 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 t30 59.58 23.25 11.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 127.147 2.179 . . . . 0.0 115.838 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.5 pt -135.69 154.24 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 124.482 1.113 . . . . 0.0 112.812 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -103.76 114.56 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -147.07 172.27 14.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.625 1.97 . . . . 0.0 111.369 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.26 -16.08 12.64 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.33 -22.28 60.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 171.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -81.48 130.44 35.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.908 1.283 . . . . 0.0 111.164 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.141 -1.6 . . . . 0.0 112.865 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.96 -25.82 65.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 171.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -62.91 -25.84 68.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 O-C-N 120.163 -1.585 . . . . 0.0 112.844 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.17 -25.29 36.93 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.571 1.148 . . . . 0.0 113.583 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 p -101.14 -21.05 15.07 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.75 146.79 44.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 112.284 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -141.6 170.2 16.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 126.933 2.093 . . . . 0.0 110.469 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.9 t -114.89 138.85 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 124.33 1.052 . . . . 0.0 109.158 164.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -118.6 132.44 56.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.462 1.028 . . . . 0.0 109.836 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.49 128.07 45.09 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 124.124 0.969 . . . . 0.0 109.602 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -87.07 79.09 8.79 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.38 1.086 . . . . 0.0 111.251 -172.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.1 -17.38 39.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.468 1.507 . . . . 0.0 113.711 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -112.25 4.21 17.62 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.153 1.381 . . . . 0.0 113.734 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 46.46 60.96 2.99 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 126.52 1.928 . . . . 0.0 113.598 169.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -127.73 -16.87 4.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.055 1.742 . . . . 0.0 113.764 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.42 5.5 82.2 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.149 1.833 . . . . 0.0 115.276 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.1 mt -116.52 140.62 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 127.66 2.384 . . . . 0.0 108.733 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.5 t -93.19 138.74 31.32 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -130.08 144.74 51.51 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.052 1.741 . . . . 0.0 109.552 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -30.13 69.54 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -173.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -73.24 -16.14 61.41 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -86.33 -9.19 56.9 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.533 1.533 . . . . 0.0 113.72 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.8 mp -84.41 135.5 34.25 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.361 -0.837 . . . . 0.0 111.793 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -113.7 144.81 42.32 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 128.318 2.647 . . . . 0.0 110.382 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.1 p -76.47 162.58 27.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.95 0.5 . . . . 0.0 111.656 165.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.01 -39.96 94.18 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.551 -0.718 . . . . 0.0 111.243 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.98 -45.32 94.17 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.878 1.271 . . . . 0.0 112.603 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.79 -19.17 63.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.397 0.999 . . . . 0.0 113.142 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -92.21 -1.79 56.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.976 1.31 . . . . 0.0 113.6 169.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.93 18.72 79.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 124.958 1.266 . . . . 0.0 115.457 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 84.4 mt -78.89 124.84 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 119.093 1.446 . . . . 0.0 109.687 -174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -92.7 -48.71 6.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.557 1.543 . . . . 0.0 111.697 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.5 p -161.85 161.32 28.91 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 113.015 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.9 mt -107.04 146.52 31.07 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.355 1.462 . . . . 0.0 111.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -93.17 130.85 38.69 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.756 1.222 . . . . 0.0 110.726 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.24 -2.46 58.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.36 147.28 23.15 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.721 1.146 . . . . 0.0 112.18 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -157.12 170.88 21.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.511 1.524 . . . . 0.0 110.831 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -122.92 141.88 51.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.021 1.329 . . . . 0.0 110.129 169.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -71.92 127.79 33.69 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 123.596 0.759 . . . . 0.0 110.254 167.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.4 m -126.86 -23.74 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.924 1.29 . . . . 0.0 113.161 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.7 m120 50.37 36.66 13.56 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 125.078 1.351 . . . . 0.0 113.993 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -80.84 114.08 19.48 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 127.447 2.299 . . . . 0.0 111.132 -165.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -66.43 133.71 50.99 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.859 -0.525 . . . . 0.0 111.175 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.5 mt -117.9 8.56 12.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.94 1.296 . . . . 0.0 113.364 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.62 169.62 26.96 Favored Glycine 0 CA--C 1.523 0.58 0 O-C-N 120.713 -1.242 . . . . 0.0 114.177 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 54.34 28.68 9.68 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.944 1.297 . . . . 0.0 114.232 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.58 3.5 89.66 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.907 1.242 . . . . 0.0 115.932 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -86.17 143.04 28.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.639 1.72 . . . . 0.0 112.344 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -142.16 130.19 21.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 109.942 170.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.7 tp -91.76 107.64 19.35 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.36 -47.64 13.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -170.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -128.52 139.95 52.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.677 1.591 . . . . 0.0 110.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -132.09 140.76 48.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.314 1.446 . . . . 0.0 112.363 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.72 -152.44 5.83 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 128.131 2.777 . . . . 0.0 112.188 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 81.2 p -143.13 170.67 15.3 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -132.97 157.15 45.89 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 127.424 2.289 . . . . 0.0 112.048 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 35.9 m -104.05 138.99 39.79 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 125.216 1.406 . . . . 0.0 111.293 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -103.64 155.91 18.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.099 1.76 . . . . 0.0 114.02 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.5 p -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.899 1.279 . . . . 0.0 113.661 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -78.9 9.8 3.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.728 1.211 . . . . 0.0 114.115 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.45 8.06 87.52 Favored Glycine 0 C--O 1.221 -0.661 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 8.5 m -85.9 144.09 27.86 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.831 1.316 . . . . 0.0 111.753 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 99.7 m -108.92 133.68 52.6 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.625 1.17 . . . . 0.0 110.489 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -134.4 157.39 46.54 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.52 1.528 . . . . 0.0 113.032 -167.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.46 141.31 32.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.559 1.543 . . . . 0.0 112.456 -168.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -150.58 163.69 37.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.529 1.132 . . . . 0.0 112.669 168.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.53 173.85 46.46 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.179 0.445 . . . . 0.0 114.165 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -87.92 117.56 26.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 121.936 -0.744 . . . . 0.0 110.484 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 46.2 tp -110.72 126.93 55.07 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.982 1.713 . . . . 0.0 110.564 -172.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.96 88.24 2.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 122.663 1.221 . . . . 0.0 109.632 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 pp -116.36 148.79 40.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.243 2.217 . . . . 0.0 111.841 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -73.18 128.87 36.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -146.51 166.72 25.6 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.89 1.276 . . . . 0.0 112.241 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -69.54 118.5 12.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.156 -0.965 . . . . 0.0 111.374 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -90.9 138.67 31.42 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.328 1.451 . . . . 0.0 112.011 -171.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 77.7 mt -105.1 -34.01 8.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -128.72 -2.7 5.35 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -167.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 20.4 m 53.71 21.39 2.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 127.078 2.151 . . . . 0.0 115.873 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 57.84 -172.06 0.1 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 127.633 2.373 . . . . 0.0 115.216 172.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -59.76 137.02 58.17 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.628 1.571 . . . . 0.0 112.059 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.29 153.48 29.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 123.86 0.864 . . . . 0.0 112.154 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.249 1.073 0 C-N-CA 126.528 1.931 . . . . 0.0 112.187 175.268 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo . . . . . 0 N--CA 1.463 -0.266 0 CA-C-O 118.481 -0.716 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.01 121.45 12.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.88 0.763 . . . . 0.0 111.351 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.32 145.0 45.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.566 2.347 . . . . 0.0 110.84 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.75 136.81 53.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.76 1.624 . . . . 0.0 110.362 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.78 110.28 16.96 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.29 -24.51 23.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -165.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -113.02 -7.8 13.67 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.06 32.98 9.22 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 120.656 -1.278 . . . . 0.0 115.309 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -131.57 19.67 4.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.52 1.66 . . . . 0.0 113.835 174.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.36 154.5 31.02 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 126.59 2.043 . . . . 0.0 114.626 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -75.16 120.36 24.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 124.773 1.229 . . . . 0.0 109.309 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -120.93 143.81 48.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -114.85 158.17 22.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.6 167.1 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 126.254 1.822 . . . . 0.0 110.368 170.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.3 142.66 46.81 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 124.322 1.049 . . . . 0.0 110.63 164.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.7 p -142.95 163.21 33.41 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 127.296 2.239 . . . . 0.0 111.281 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -88.32 31.02 0.83 Allowed 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 120.621 -1.3 . . . . 0.0 114.224 177.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.66 -147.25 43.46 Favored Glycine 0 C--O 1.22 -0.743 0 C-N-CA 123.835 0.731 . . . . 0.0 111.729 -168.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -73.31 -57.24 4.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.045 -0.68 . . . . 0.0 109.573 166.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -154.32 159.48 41.23 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 126.345 1.858 . . . . 0.0 111.108 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.47 153.62 39.63 Favored Glycine 0 C--O 1.237 0.327 0 C-N-CA 124.773 1.178 . . . . 0.0 115.318 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 m -102.59 -21.67 14.12 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.953 1.701 . . . . 0.0 112.746 170.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -137.81 158.33 44.58 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.669 2.388 . . . . 0.0 110.508 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -62.24 -21.75 65.42 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.711 1.204 . . . . 0.0 113.939 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.52 -26.48 32.01 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 173.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -92.38 3.17 55.97 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -114.88 -28.06 7.18 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.734 1.614 . . . . 0.0 113.42 169.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -49.15 -44.82 43.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.901 2.08 . . . . 0.0 115.083 -172.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 p30 -113.05 -15.86 12.74 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.171 0.989 . . . . 0.0 113.307 174.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.56 13.82 61.46 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 118.729 -1.039 . . . . 0.0 114.856 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 pt -121.3 -22.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 119.091 1.445 . . . . 0.0 113.395 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -56.16 123.83 15.81 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 119.668 1.122 . . . . 0.0 111.4 173.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -91.57 164.41 13.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.442 1.097 . . . . 0.0 112.06 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.81 -20.17 3.94 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.815 1.246 . . . . 0.0 114.09 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 p -142.73 131.23 22.38 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 126.017 1.727 . . . . 0.0 111.25 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.66 136.32 13.46 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 160.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -148.0 166.13 28.67 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.032 0.916 . . . . 0.0 112.67 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.52 127.59 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 124.995 1.318 . . . . 0.0 109.897 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -55.76 152.4 9.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.424 -0.798 . . . . 0.0 112.338 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.95 -9.8 4.8 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 172.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.8 -28.93 69.81 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.344 1.458 . . . . 0.0 113.306 166.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -129.8 -171.57 2.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.675 2.79 . . . . 0.0 112.572 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 174.67 38.42 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 116.344 1.297 . . . . 0.0 116.344 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.74 144.56 30.28 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.406 1.882 . . . . 0.0 111.31 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.94 132.33 39.0 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.199 0.6 . . . . 0.0 110.071 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.96 164.44 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 124.188 0.995 . . . . 0.0 113.034 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -152.16 125.51 8.76 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.378 1.471 . . . . 0.0 110.105 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -77.66 128.88 34.81 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 118.438 0.563 . . . . 0.0 110.004 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -105.44 -6.45 19.48 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.41 -0.85 6.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.62 38.75 57.12 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -108.75 -3.5 17.73 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.7 7.08 88.78 Favored Glycine 0 C--N 1.339 0.748 0 C-N-CA 125.201 1.382 . . . . 0.0 115.772 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 pt -133.04 155.34 41.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 119.318 1.559 . . . . 0.0 112.683 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.8 mm -99.91 102.36 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 126.112 1.765 . . . . 0.0 107.776 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -120.29 -3.99 9.97 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -162.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -153.63 160.84 42.52 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.234 1.414 . . . . 0.0 111.83 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.52 -16.87 63.72 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 116.213 1.245 . . . . 0.0 116.213 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -13.1 60.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.446 1.123 . . . . 0.0 113.866 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -92.38 -7.61 47.24 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.409 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.19 166.37 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.705 2.002 . . . . 0.0 110.342 160.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -101.09 107.02 18.34 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.99 164.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.48 -167.36 35.04 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.443 1.02 . . . . 0.0 113.425 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -70.85 3.16 3.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 116.304 1.964 . . . . 0.0 116.304 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -124.0 14.18 9.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.503 1.521 . . . . 0.0 111.87 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.3 m -89.41 148.2 23.62 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.264 1.826 . . . . 0.0 110.569 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.53 148.92 23.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.08 175.7 7.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.688 2.395 . . . . 0.0 110.949 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -30.46 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -79.77 1.29 27.28 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.983 1.313 . . . . 0.0 113.486 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 0.53 87.99 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.571 1.558 . . . . 0.0 113.967 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.2 p -78.51 161.55 26.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 119.014 1.407 . . . . 0.0 110.916 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -87.43 141.89 28.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.61 -1.306 . . . . 0.0 112.99 -174.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 137.96 47.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.677 1.191 . . . . 0.0 111.364 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -70.52 -25.66 63.23 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' CD2' HE21 ' A' ' 149' ' ' GLN . 9.5 p80 -159.63 171.16 20.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.111 2.165 . . . . 0.0 111.752 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.95 -26.06 71.11 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.63 -38.7 54.25 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 119.164 1.482 . . . . 0.0 112.496 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.26 73.9 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 119.155 0.889 . . . . 0.0 111.82 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.019 0.928 . . . . 0.0 113.18 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -75.24 -32.39 61.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.885 0.874 . . . . 0.0 112.979 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -18.69 59.78 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.776 1.23 . . . . 0.0 114.256 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.7 -22.96 49.18 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 113.754 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.5 mt -103.51 2.53 33.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -166.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -75.1 125.17 28.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.377 -0.827 . . . . 0.0 109.939 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -91.73 -30.36 16.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -109.22 -3.95 16.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.53 62.0 4.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.745 1.164 . . . . 0.0 112.011 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -122.81 3.28 9.48 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.34 1.056 . . . . 0.0 113.692 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.5 t30 67.92 20.07 9.32 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.716 1.607 . . . . 0.0 115.161 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 pt -135.55 155.54 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 C-N-CA 125.014 1.326 . . . . 0.0 112.583 169.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mm -105.07 119.1 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.494 1.517 . . . . 0.0 109.113 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -152.69 169.21 23.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.785 1.234 . . . . 0.0 111.561 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 -25.2 65.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.16 -14.12 61.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -84.22 134.03 34.56 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 119.842 1.201 . . . . 0.0 112.498 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.82 65.35 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -171.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.41 -19.08 58.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.055 1.742 . . . . 0.0 114.691 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -61.07 -33.02 72.66 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.813 1.188 . . . . 0.0 113.025 -169.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.84 -28.77 66.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -86.34 -11.47 52.01 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 93.0 mt -76.35 137.79 40.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.816 -1.178 . . . . 0.0 112.538 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -136.95 170.43 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.822 1.649 . . . . 0.0 110.683 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.8 t -123.05 134.37 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.763 1.225 . . . . 0.0 109.171 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -102.49 124.85 48.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.975 1.31 . . . . 0.0 109.764 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -117.7 102.2 8.95 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.572 1.549 . . . . 0.0 108.262 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.04 111.63 12.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.359 -0.838 . . . . 0.0 109.572 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.5 mt -73.05 -11.01 60.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.69 1.196 . . . . 0.0 113.263 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -113.87 -8.29 13.15 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 126.263 1.825 . . . . 0.0 113.477 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.93 33.29 11.36 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.484 1.913 . . . . 0.0 113.883 -172.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -92.1 -6.99 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.65 22.36 72.6 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 124.124 0.869 . . . . 0.0 114.774 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -121.96 122.11 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 C-N-CA 126.826 2.051 . . . . 0.0 107.788 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -87.76 139.75 30.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.862 0.865 . . . . 0.0 113.04 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -129.71 154.11 47.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.378 1.471 . . . . 0.0 109.641 169.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.46 69.07 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -71.1 -8.47 53.66 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.18 -8.4 36.38 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.362 1.465 . . . . 0.0 112.798 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.4 mt -89.54 151.29 22.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.27 1.028 . . . . 0.0 110.944 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -133.14 146.41 51.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.292 1.837 . . . . 0.0 110.533 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.5 p -69.18 155.14 40.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.222 1.009 . . . . 0.0 111.153 165.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.5 mt -66.91 -28.66 68.49 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 120.809 -1.182 . . . . 0.0 110.943 165.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.18 -46.86 87.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.794 1.238 . . . . 0.0 112.566 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.6 -19.15 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.08 -13.71 43.5 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.631 1.172 . . . . 0.0 112.462 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.66 42.27 87.93 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 124.755 1.169 . . . . 0.0 113.223 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.69 130.84 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.153 0.981 . . . . 0.0 109.566 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.03 -45.41 5.95 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.126 1.77 . . . . 0.0 112.175 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.0 p -160.05 166.48 29.85 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.843 1.257 . . . . 0.0 111.857 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 mp -127.65 144.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -84.32 143.3 29.59 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.036 0.935 . . . . 0.0 113.323 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 76.3 mt -100.65 -3.46 30.31 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.392 1.477 . . . . 0.0 112.627 163.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.93 122.83 26.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.62 1.168 . . . . 0.0 110.648 164.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -137.27 164.25 29.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.712 1.605 . . . . 0.0 113.332 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -128.16 139.54 52.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.186 2.195 . . . . 0.0 110.114 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.12 125.52 28.52 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 118.774 0.716 . . . . 0.0 109.242 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.52 -29.98 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 49.12 39.68 15.78 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 126.253 1.821 . . . . 0.0 114.412 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -75.18 131.18 40.26 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.137 1.375 . . . . 0.0 111.345 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -84.41 114.7 22.09 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.583 1.083 . . . . 0.0 109.48 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.31 17.41 12.87 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.766 1.226 . . . . 0.0 113.778 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.41 170.05 41.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 124.674 1.13 . . . . 0.0 113.315 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 52.5 26.7 4.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.633 1.973 . . . . 0.0 114.83 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 9.86 82.64 Favored Glycine 0 C--N 1.344 1.002 0 C-N-CA 126.085 1.803 . . . . 0.0 116.434 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -102.26 140.98 35.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.021 1.41 . . . . 0.0 112.363 -172.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.9 m -128.83 117.44 21.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.886 0.875 . . . . 0.0 112.394 -173.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.5 tp -80.06 97.45 6.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.301 1.44 . . . . 0.0 108.961 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.46 -55.82 10.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.238 0.615 . . . . 0.0 112.626 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.441 HE21 ' CD2' ' A' ' 76' ' ' HIS . 35.0 mt-30 -131.32 142.75 50.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.974 1.31 . . . . 0.0 110.226 -178.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -135.53 141.43 45.24 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.939 1.296 . . . . 0.0 112.116 -168.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.65 -149.78 5.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 127.319 2.39 . . . . 0.0 111.627 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 66.6 m -138.05 166.17 24.76 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 123.948 0.899 . . . . 0.0 113.337 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -131.34 162.57 29.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.003 1.721 . . . . 0.0 110.533 165.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.4 m -116.87 140.62 49.24 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.077 1.351 . . . . 0.0 110.722 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -99.49 159.86 14.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.661 1.584 . . . . 0.0 111.819 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 40.8 p -68.45 -14.79 63.25 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -82.05 6.41 16.34 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 166.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.61 -3.86 85.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 125.692 1.615 . . . . 0.0 115.974 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 54.8 p -76.88 153.89 34.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.205 1.502 . . . . 0.0 113.264 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 2.8 m -111.97 139.2 47.66 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.455 1.502 . . . . 0.0 110.15 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.6 45.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 111.69 -164.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -93.92 145.64 24.48 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -167.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -153.99 164.58 38.2 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.743 1.217 . . . . 0.0 112.86 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.9 171.82 44.37 Favored Glycine 0 N--CA 1.439 -1.122 0 O-C-N 121.246 -0.909 . . . . 0.0 114.896 173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -82.96 105.2 13.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.517 1.127 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 51.5 tp -97.43 114.17 25.97 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.888 1.675 . . . . 0.0 110.855 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 40.9 mt -75.34 130.03 38.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.054 1.341 . . . . 0.0 108.768 169.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 73.8 mt -103.33 148.28 26.05 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.724 1.21 . . . . 0.0 112.053 -169.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -85.79 148.64 25.74 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 123.917 0.887 . . . . 0.0 113.352 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -156.32 140.61 16.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.518 1.127 . . . . 0.0 112.809 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -85.95 129.17 34.92 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.076 1.351 . . . . 0.0 112.489 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -60.8 -29.05 69.22 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 118.127 -0.939 . . . . 0.0 113.39 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 21.5 mt -76.44 5.64 6.93 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 120.033 1.288 . . . . 0.0 114.245 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -125.84 -50.07 1.6 Allowed 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.548 1.539 . . . . 0.0 111.887 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 93.8 p -65.67 -33.02 74.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -175.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -87.7 -4.64 58.9 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.03 1.332 . . . . 0.0 113.849 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -117.01 83.77 2.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.593 1.957 . . . . 0.0 110.788 -170.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 76.5 mt -121.62 20.98 10.99 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.899 2.08 . . . . 0.0 113.008 -169.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.586 1.555 . . . . 0.0 111.887 176.286 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 CA--C 1.519 -0.27 0 N-CA-C 112.908 0.311 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.33 125.98 28.35 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.47 148.96 42.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.22 2.208 . . . . 0.0 111.856 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -119.45 139.6 51.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.249 2.22 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -82.51 100.33 10.03 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.43 1.492 . . . . 0.0 110.66 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.25 95.4 mt -91.44 -19.66 22.61 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -168.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -100.25 -8.63 23.27 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 121.071 1.759 . . . . 0.0 114.338 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.92 27.76 15.64 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 165.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -123.0 15.35 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.288 1.544 . . . . 0.0 114.446 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.23 154.03 28.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 126.696 2.094 . . . . 0.0 113.104 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.67 135.75 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 121.244 -1.151 . . . . 0.0 110.216 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -129.95 152.9 48.91 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.389 1.476 . . . . 0.0 113.351 -175.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.6 p -137.07 151.1 48.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.6 1.56 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -141.76 139.35 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 125.473 1.509 . . . . 0.0 110.39 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.73 148.29 31.66 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 124.301 1.04 . . . . 0.0 111.583 162.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.6 m -68.05 122.78 18.98 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.105 -0.997 . . . . 0.0 111.257 -170.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.8 mttt 56.47 16.59 2.55 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 126.952 2.101 . . . . 0.0 114.411 -169.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.33 148.28 51.03 Favored Glycine 0 C--N 1.334 0.426 0 O-C-N 121.271 -0.893 . . . . 0.0 112.833 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -147.98 4.51 0.74 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.045 0.938 . . . . 0.0 113.511 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -63.0 -34.31 77.29 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 120.719 -1.238 . . . . 0.0 113.123 -168.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.62 -27.41 70.94 Favored Glycine 0 C--O 1.224 -0.483 0 CA-C-N 119.161 0.891 . . . . 0.0 114.17 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -83.64 6.52 20.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.485 1.514 . . . . 0.0 113.846 171.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.99 -42.56 2.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.364 1.465 . . . . 0.0 112.704 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -151.33 170.58 19.19 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.975 1.31 . . . . 0.0 113.0 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -55.74 111.02 0.81 Allowed 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.356 1.862 . . . . 0.0 113.445 -174.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -61.85 -19.37 62.53 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -67.77 -27.19 66.55 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.693 -1.254 . . . . 0.0 112.286 173.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -82.37 -11.8 58.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.077 1.351 . . . . 0.0 112.996 174.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -110.84 -9.25 14.47 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 126.044 1.738 . . . . 0.0 113.756 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.73 -11.96 58.57 Favored Glycine 0 N--CA 1.445 -0.716 0 O-C-N 121.092 -1.005 . . . . 0.0 115.286 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 tp -85.38 -16.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 119.309 1.554 . . . . 0.0 113.482 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -68.81 175.29 3.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.472 1.509 . . . . 0.0 112.885 166.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.6 p -62.49 143.53 57.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.626 1.171 . . . . 0.0 113.348 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.99 128.94 37.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -169.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -129.77 -14.15 4.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 125.315 1.446 . . . . 0.0 114.219 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.67 168.13 41.38 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 119.829 1.195 . . . . 0.0 113.894 166.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -126.12 168.74 13.59 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.455 1.502 . . . . 0.0 111.155 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.07 137.5 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.887 0.875 . . . . 0.0 111.82 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 t -62.45 152.6 33.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.354 1.062 . . . . 0.0 113.12 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.34 -22.08 65.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.09 -8.09 59.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -118.15 -173.67 2.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.861 2.465 . . . . 0.0 111.907 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.16 179.63 39.59 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 120.062 -1.649 . . . . 0.0 114.759 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.21 143.88 44.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.751 1.621 . . . . 0.0 112.186 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.7 127.34 32.82 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 123.979 0.912 . . . . 0.0 109.829 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.93 159.35 14.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 124.3 1.04 . . . . 0.0 112.462 -168.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -154.28 131.58 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.229 1.012 . . . . 0.0 111.715 169.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.67 124.98 25.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.591 1.157 . . . . 0.0 112.281 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.8 mt -107.18 -3.38 19.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.568 . . . . 0.0 114.764 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -127.06 17.66 7.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.09 25.36 75.48 Favored Glycine 0 C--N 1.342 0.863 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 167.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -106.17 -4.46 20.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.341 1.456 . . . . 0.0 114.342 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.89 -3.71 74.22 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 125.824 1.678 . . . . 0.0 115.961 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.23 165.97 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.075 1.75 . . . . 0.0 112.163 -175.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -105.85 106.91 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 125.602 1.561 . . . . 0.0 108.944 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -144.83 13.22 1.48 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -169.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -137.83 142.72 40.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.427 1.091 . . . . 0.0 111.226 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.18 -15.78 45.76 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 -173.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.9 -15.54 34.12 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.82 1.31 . . . . 0.0 114.023 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -75.86 -22.94 55.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.671 1.188 . . . . 0.0 112.201 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.95 129.81 35.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.927 1.291 . . . . 0.0 108.242 160.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -66.5 108.07 2.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.34 0.518 . . . . 0.0 112.198 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.84 -166.43 21.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 124.505 1.05 . . . . 0.0 113.392 -171.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -79.77 6.17 11.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.753 1.221 . . . . 0.0 114.188 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.78 -5.77 19.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.271 1.428 . . . . 0.0 113.111 165.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -77.81 144.7 36.87 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.409 1.483 . . . . 0.0 110.033 165.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -98.13 159.87 14.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.53 170.86 9.83 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 128.229 2.612 . . . . 0.0 110.531 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.79 -20.46 65.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -170.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -87.49 1.64 52.92 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 125.759 1.624 . . . . 0.0 113.137 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 -1.34 88.92 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 125.504 1.526 . . . . 0.0 116.285 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -68.21 155.4 39.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.55 1.675 . . . . 0.0 111.848 166.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -76.77 145.54 38.49 Favored 'General case' 0 N--CA 1.441 -0.917 0 O-C-N 121.357 -0.839 . . . . 0.0 111.085 173.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.86 154.55 39.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.612 -0.68 . . . . 0.0 112.824 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.42 -47.4 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.562 1.545 . . . . 0.0 110.996 167.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.3 172.15 17.11 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 127.443 2.297 . . . . 0.0 110.178 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.94 -27.62 62.4 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 121.178 -0.951 . . . . 0.0 115.124 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.28 -37.44 80.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 118.38 1.09 . . . . 0.0 113.293 174.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.98 73.74 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.526 -0.734 . . . . 0.0 112.239 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.83 76.42 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 173.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.16 -40.96 43.61 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.197 1.399 . . . . 0.0 112.54 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -23.44 65.9 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.37 -22.55 61.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.744 1.217 . . . . 0.0 112.976 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.5 mt -91.06 -5.8 54.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.097 1.359 . . . . 0.0 114.468 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -73.02 124.87 26.35 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 119.413 1.006 . . . . 0.0 110.255 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.1 p -81.15 -17.43 49.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.654 1.182 . . . . 0.0 114.041 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -111.51 -24.92 9.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -167.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.27 28.84 73.56 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 118.655 0.662 . . . . 0.0 113.281 -158.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -90.06 7.33 38.29 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.528 1.131 . . . . 0.0 112.61 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 63.88 25.28 13.96 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.933 2.093 . . . . 0.0 114.48 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.76 152.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.258 1.423 . . . . 0.0 113.022 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.6 123.07 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -151.4 175.92 11.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.494 1.918 . . . . 0.0 111.284 -172.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.99 -16.17 16.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -175.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.64 65.97 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 120.355 1.434 . . . . 0.0 114.305 168.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -92.97 139.51 30.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.441 1.496 . . . . 0.0 111.893 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.76 70.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.032 -1.043 . . . . 0.0 113.316 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.48 66.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.66 -25.67 68.25 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.791 1.178 . . . . 0.0 113.191 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -91.57 -19.61 22.56 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 172.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.7 p -97.49 -25.43 15.18 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 121.43 1.923 . . . . 0.0 114.844 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.35 151.47 40.74 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.344 1.457 . . . . 0.0 112.011 171.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -136.54 166.71 22.87 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.718 1.607 . . . . 0.0 110.337 172.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.6 t -123.9 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.055 1.342 . . . . 0.0 108.911 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -120.93 127.95 52.31 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.709 1.203 . . . . 0.0 112.045 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -116.39 108.86 16.58 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.166 1.386 . . . . 0.0 109.957 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -81.71 72.41 8.76 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.958 0.903 . . . . 0.0 111.426 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.19 -24.34 67.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -105.98 8.75 32.6 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 54.78 61.15 3.1 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.403 1.881 . . . . 0.0 114.153 164.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -133.98 -1.03 3.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.16 67.64 Favored Glycine 0 CA--C 1.527 0.781 0 O-C-N 120.629 -1.295 . . . . 0.0 115.998 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.1 mt -97.21 137.83 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 119.47 1.635 . . . . 0.0 109.101 174.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.8 p -94.84 149.95 20.7 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.901 1.28 . . . . 0.0 112.454 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -138.38 158.95 43.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.654 1.982 . . . . 0.0 110.527 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.2 74.76 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.344 -0.847 . . . . 0.0 113.185 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -77.25 -7.39 55.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 174.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -100.49 -17.7 17.02 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 113.666 170.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.9 mt -84.85 152.47 23.58 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.391 1.477 . . . . 0.0 112.057 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -143.61 151.18 39.85 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.393 2.277 . . . . 0.0 111.513 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.4 p -73.74 162.91 28.64 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.035 1.334 . . . . 0.0 111.513 159.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.11 -35.57 74.21 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.1 -39.88 82.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.583 0.753 . . . . 0.0 113.021 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.34 -23.04 61.09 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.9 mt -78.2 -1.39 32.59 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.562 1.545 . . . . 0.0 113.631 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.41 26.05 71.18 Favored Glycine 0 C--O 1.219 -0.785 0 C-N-CA 124.97 1.271 . . . . 0.0 114.85 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.8 mt -82.21 133.2 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 118.658 1.229 . . . . 0.0 109.933 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -97.42 -39.94 8.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.408 1.483 . . . . 0.0 111.932 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.3 p -157.92 154.42 27.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 38.7 mt -100.1 135.75 41.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.238 1.415 . . . . 0.0 109.122 165.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.39 143.46 30.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 119.046 0.839 . . . . 0.0 112.525 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.85 3.99 26.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.193 1.397 . . . . 0.0 113.957 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.24 135.2 33.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 111.197 162.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -159.05 161.42 36.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.135 1.374 . . . . 0.0 111.461 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -125.42 146.87 49.42 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.564 1.946 . . . . 0.0 110.758 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -74.22 129.59 38.11 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.541 0.736 . . . . 0.0 109.84 171.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.11 -20.79 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.6 m120 48.22 35.77 5.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -91.97 122.47 34.52 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.411 1.484 . . . . 0.0 112.434 -164.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -84.93 138.33 32.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 111.938 -175.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.58 17.78 9.61 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 125.39 1.476 . . . . 0.0 114.572 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.24 172.05 5.43 Favored Glycine 0 C--N 1.333 0.416 0 O-C-N 120.213 -1.555 . . . . 0.0 113.354 -168.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 50.34 32.64 6.53 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.026 1.73 . . . . 0.0 114.319 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 62.58 11.69 36.61 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 117.223 1.649 . . . . 0.0 117.223 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -84.33 138.72 32.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.589 1.195 . . . . 0.0 110.488 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.7 m -139.96 138.17 35.32 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.119 0.968 . . . . 0.0 110.572 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -93.4 108.3 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.772 1.629 . . . . 0.0 108.553 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.19 18.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -129.27 141.99 50.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.812 2.045 . . . . 0.0 109.949 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -137.01 136.2 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 120.113 1.324 . . . . 0.0 113.451 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.79 -148.47 5.48 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 127.673 2.559 . . . . 0.0 111.166 168.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.0 m -139.0 168.72 19.2 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.812 1.245 . . . . 0.0 113.799 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -130.05 156.18 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.287 1.435 . . . . 0.0 110.341 159.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.1 m -116.91 141.11 48.66 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.489 1.515 . . . . 0.0 110.055 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.51 165.56 11.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.113 1.365 . . . . 0.0 113.496 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.1 p -66.23 -14.43 61.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -93.11 1.02 57.39 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.59 1.556 . . . . 0.0 114.933 170.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.9 -0.86 86.63 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 117.835 -1.536 . . . . 0.0 115.495 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 55.7 p -74.77 159.91 31.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 119.835 1.817 . . . . 0.0 112.244 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 48.9 p -124.31 155.55 38.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.813 1.245 . . . . 0.0 111.965 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.86 164.72 32.8 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.996 0.919 . . . . 0.0 111.54 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -71.68 148.95 45.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.097 0.959 . . . . 0.0 112.982 -173.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.4 159.51 43.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.137 0.975 . . . . 0.0 110.724 157.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.53 174.32 46.07 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 121.698 -0.626 . . . . 0.0 114.236 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.78 112.11 23.95 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.821 0.848 . . . . 0.0 111.923 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 67.8 tp -112.52 136.18 52.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.951 2.1 . . . . 0.0 112.024 -169.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.75 126.73 32.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.572 0.749 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt -116.35 150.5 37.6 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 127.889 2.476 . . . . 0.0 113.153 -169.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.1 155.94 19.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 169.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -109.45 149.91 28.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.554 1.542 . . . . 0.0 112.725 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.2 155.3 19.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.449 1.5 . . . . 0.0 110.132 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.73 -28.15 69.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 120.766 -1.209 . . . . 0.0 112.933 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 85.2 mt -137.62 -38.38 0.59 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -176.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -82.63 146.13 29.28 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 125.804 1.642 . . . . 0.0 113.637 -167.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 70.6 m 45.85 39.71 5.74 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -83.89 156.6 22.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.566 1.546 . . . . 0.0 113.447 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -80.25 -164.46 0.69 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.433 1.493 . . . . 0.0 112.529 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.52 134.84 49.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.939 -1.101 . . . . 0.0 110.412 168.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.252 1.205 0 C-N-CA 125.13 1.372 . . . . 0.0 111.206 179.314 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo . . . . . 0 N--CA 1.465 -0.153 0 N-CA-C 113.272 0.451 . . . . 0.0 113.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.98 132.64 47.67 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.97 150.12 50.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -115.24 133.08 56.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.953 2.101 . . . . 0.0 110.664 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -80.3 105.25 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.384 1.073 . . . . 0.0 110.318 169.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.75 -35.82 29.24 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -165.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -106.29 -2.18 22.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.954 1.301 . . . . 0.0 114.328 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.49 10.84 82.88 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 118.477 -1.18 . . . . 0.0 115.947 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -85.34 -4.4 59.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 120.367 2.083 . . . . 0.0 113.298 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.2 166.06 13.3 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 126.36 1.933 . . . . 0.0 114.396 173.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.35 124.01 33.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.61 146.97 36.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.354 1.462 . . . . 0.0 113.35 -163.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -127.35 162.59 25.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.272 1.429 . . . . 0.0 112.236 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.38 150.4 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 126.457 1.903 . . . . 0.0 110.621 173.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.71 -14.28 62.34 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -166.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 t -152.99 151.84 30.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.187 -0.946 . . . . 0.0 112.823 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -81.01 143.99 32.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 126.697 1.999 . . . . 0.0 110.572 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.412 ' HA3' ' CG ' ' A' ' 19' ' ' PHE . . . 66.24 -166.06 38.19 Favored Glycine 0 C--N 1.343 0.954 0 C-N-CA 124.914 1.245 . . . . 0.0 115.541 169.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.412 ' CG ' ' HA3' ' A' ' 18' ' ' GLY . 60.0 m-85 -143.86 64.29 1.33 Allowed 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 129.711 3.205 . . . . 0.0 109.872 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -61.32 114.18 3.04 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.303 1.441 . . . . 0.0 112.524 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.16 -3.69 5.42 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 125.639 1.59 . . . . 0.0 116.11 -173.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -119.75 -3.22 10.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.73 1.612 . . . . 0.0 114.54 -166.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -56.75 125.35 21.95 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.675 1.59 . . . . 0.0 113.636 -169.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -101.7 145.46 29.08 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.732 1.613 . . . . 0.0 111.726 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.56 -5.21 59.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -166.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -133.67 165.22 25.44 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 126.396 1.878 . . . . 0.0 111.276 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -83.51 143.9 29.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.006 -1.059 . . . . 0.0 110.26 160.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -88.03 -14.12 39.82 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -174.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.49 68.72 1.43 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.095 1.758 . . . . 0.0 110.751 -165.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.88 -142.78 45.63 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.232 0.92 . . . . 0.0 112.471 -174.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.2 mm -111.45 134.04 55.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 125.322 1.449 . . . . 0.0 109.289 168.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -86.87 152.9 22.06 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.488 1.115 . . . . 0.0 113.381 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.0 p -110.76 2.36 18.35 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 126.707 2.003 . . . . 0.0 113.536 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.74 143.93 47.44 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.345 1.458 . . . . 0.0 111.642 167.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.6 m -130.5 -37.09 1.41 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.816 1.246 . . . . 0.0 112.399 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.62 162.52 54.32 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.32 0.962 . . . . 0.0 115.07 -173.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -138.66 171.45 14.34 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 125.287 1.435 . . . . 0.0 112.289 -170.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.8 137.35 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.535 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -59.67 146.46 41.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.853 0.861 . . . . 0.0 112.67 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.63 -18.23 62.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -78.12 -7.81 57.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.732 1.613 . . . . 0.0 113.568 173.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -113.95 159.18 20.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.053 1.741 . . . . 0.0 113.002 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.63 134.0 11.57 Favored Glycine 0 N--CA 1.446 -0.674 0 O-C-N 121.51 -0.743 . . . . 0.0 113.3 -172.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.8 mt -82.16 129.62 34.87 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 117.689 0.744 . . . . 0.0 108.997 167.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -77.53 126.1 30.36 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.331 0.652 . . . . 0.0 109.854 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.47 166.51 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 124.791 1.236 . . . . 0.0 112.403 -168.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -147.79 138.66 23.32 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.794 1.638 . . . . 0.0 110.89 169.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.59 119.22 24.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.444 0.565 . . . . 0.0 110.868 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.3 mt -94.41 -13.35 26.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.125 1.37 . . . . 0.0 114.548 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -128.42 10.8 6.26 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.4 9.25 85.95 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 116.399 1.319 . . . . 0.0 116.399 167.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -81.96 -2.22 50.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 119.423 1.611 . . . . 0.0 114.447 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.37 6.45 89.25 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.414 1.483 . . . . 0.0 116.084 175.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.0 pt -138.26 166.41 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 C-N-CA 125.848 1.659 . . . . 0.0 112.619 -174.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.8 mm -102.53 114.91 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 125.802 1.641 . . . . 0.0 109.842 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.11 3.89 1.06 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -138.48 138.1 37.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.704 2.001 . . . . 0.0 109.326 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.87 -18.84 19.42 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.36 -14.29 62.14 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -88.37 -17.15 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.857 1.663 . . . . 0.0 113.506 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.17 162.88 23.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.035 1.734 . . . . 0.0 109.694 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -95.17 106.63 18.67 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.234 -1.541 . . . . 0.0 110.761 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.02 -155.23 13.71 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 125.511 1.529 . . . . 0.0 113.085 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -69.4 -10.83 59.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -167.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -75.16 -21.78 58.55 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 120.459 -1.401 . . . . 0.0 112.948 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -74.42 136.43 42.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.316 0.962 . . . . 0.0 112.29 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -98.79 137.03 37.97 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.553 1.541 . . . . 0.0 110.913 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.0 mt -90.98 158.33 16.77 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 127.033 2.133 . . . . 0.0 110.75 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.01 -10.99 55.62 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -88.48 1.92 53.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.859 1.664 . . . . 0.0 113.343 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.08 -8.83 78.94 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.132 1.349 . . . . 0.0 115.575 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -74.65 159.07 32.57 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 118.906 1.353 . . . . 0.0 112.027 172.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.07 154.22 20.36 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 120.731 -1.231 . . . . 0.0 110.728 163.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.71 138.94 55.33 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.023 0.529 . . . . 0.0 111.979 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -80.09 -29.59 39.08 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.978 0.911 . . . . 0.0 112.94 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.31 168.55 25.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.432 1.893 . . . . 0.0 112.038 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.92 -27.4 68.59 Favored Glycine 0 C--N 1.338 0.642 0 C-N-CA 123.843 0.735 . . . . 0.0 114.22 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -69.65 -42.5 74.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.605 1.203 . . . . 0.0 112.514 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.26 80.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.484 1.038 . . . . 0.0 112.587 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.28 96.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.666 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.04 -35.43 56.87 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.182 -0.949 . . . . 0.0 113.216 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.26 -16.03 61.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -62.85 -24.5 67.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 121.134 -0.979 . . . . 0.0 113.455 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.5 mt -93.32 -9.42 38.93 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -166.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.28 119.53 11.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 118.509 0.595 . . . . 0.0 109.529 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -93.62 -27.65 16.47 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -109.62 -12.13 14.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.82 46.79 9.2 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-N 119.276 0.944 . . . . 0.0 114.141 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -104.55 2.88 31.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.612 1.565 . . . . 0.0 112.788 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t30 62.02 25.84 15.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.886 2.074 . . . . 0.0 114.307 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.3 pt -132.24 153.44 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.9 mm -100.27 117.54 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 166.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -144.67 172.73 12.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.556 1.542 . . . . 0.0 111.208 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.57 -15.35 26.86 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.51 -12.99 59.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -85.3 133.52 34.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 120.272 -1.518 . . . . 0.0 111.424 164.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.26 68.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.732 -1.23 . . . . 0.0 113.913 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.95 -23.23 67.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.18 -29.48 68.72 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 120.362 1.437 . . . . 0.0 113.529 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.36 -17.52 48.78 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.502 1.121 . . . . 0.0 113.915 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -95.48 -27.33 15.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.601 1.56 . . . . 0.0 113.441 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.86 142.38 58.28 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.513 1.125 . . . . 0.0 111.529 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -138.96 164.55 29.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.597 1.959 . . . . 0.0 109.985 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.92 129.9 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.84 1.256 . . . . 0.0 108.625 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -118.69 134.09 55.38 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.427 1.091 . . . . 0.0 112.847 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -121.86 114.82 21.58 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.327 1.851 . . . . 0.0 110.52 174.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -78.51 75.5 5.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.767 -1.208 . . . . 0.0 111.807 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.1 -44.49 67.66 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.127 1.371 . . . . 0.0 114.04 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -89.4 -7.95 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.981 1.312 . . . . 0.0 114.43 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 55.57 56.72 5.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.577 1.551 . . . . 0.0 112.85 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 p30 -94.79 -9.17 35.35 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 120.009 -1.682 . . . . 0.0 113.301 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.68 2.19 90.61 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.652 1.12 . . . . 0.0 114.26 -173.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.02 145.01 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 126.695 1.998 . . . . 0.0 109.996 -169.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 134.84 37.22 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.296 1.038 . . . . 0.0 111.272 174.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -130.35 145.14 51.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.703 1.601 . . . . 0.0 108.341 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.71 -27.52 67.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -166.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -67.47 -17.65 64.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -89.84 -7.95 53.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.867 1.667 . . . . 0.0 114.327 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -87.13 152.66 22.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.028 0.931 . . . . 0.0 110.389 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -136.01 148.03 48.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.257 2.223 . . . . 0.0 110.944 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.7 p -68.52 161.12 28.53 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.699 1.2 . . . . 0.0 111.054 164.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.36 -38.57 84.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.764 -0.585 . . . . 0.0 110.495 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -63.27 -42.44 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.251 1.42 . . . . 0.0 112.859 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.94 -14.37 60.63 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.0 6.58 45.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.496 1.519 . . . . 0.0 112.643 168.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.02 15.8 76.48 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 124.271 0.938 . . . . 0.0 115.264 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.6 mt -78.69 132.61 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 118.687 1.243 . . . . 0.0 109.304 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -99.22 -41.42 7.49 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.561 1.544 . . . . 0.0 111.474 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 99.8 p -158.34 161.12 37.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.533 1.133 . . . . 0.0 112.857 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.5 mt -110.91 139.19 46.44 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 126.344 1.858 . . . . 0.0 109.1 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -89.38 136.98 32.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.528 0.731 . . . . 0.0 111.38 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.08 -8.2 46.51 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.62 137.52 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 111.287 168.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -147.02 168.8 20.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.35 1.06 . . . . 0.0 112.127 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -121.14 132.93 55.14 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.924 2.09 . . . . 0.0 109.766 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -69.23 130.44 42.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 122.729 0.412 . . . . 0.0 110.963 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m -137.54 -34.42 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.35 44.16 12.39 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 114.426 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -73.81 118.36 16.68 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.732 1.213 . . . . 0.0 111.614 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.45 120.42 20.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.414 1.086 . . . . 0.0 112.476 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.4 -1.57 21.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -171.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 83.69 168.04 42.95 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 125.121 1.343 . . . . 0.0 114.5 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 49.02 31.17 3.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 127.226 2.211 . . . . 0.0 114.286 -176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.03 16.12 80.9 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 125.796 1.665 . . . . 0.0 115.929 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -99.0 147.24 25.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.47 1.635 . . . . 0.0 112.119 170.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -142.94 139.95 30.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.202 1.401 . . . . 0.0 109.324 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.0 101.45 12.93 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.12 0.968 . . . . 0.0 108.611 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.08 -54.09 6.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.591 0.756 . . . . 0.0 113.017 -170.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -127.46 138.85 53.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 108.504 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.39 138.18 52.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.875 1.27 . . . . 0.0 111.499 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -151.42 -155.41 6.96 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 125.739 1.638 . . . . 0.0 111.778 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.8 p -134.99 165.86 24.37 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -135.38 156.82 48.3 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.609 1.964 . . . . 0.0 110.345 165.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.7 m -114.67 133.83 55.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.824 0.85 . . . . 0.0 109.838 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.75 154.5 17.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 125.494 1.518 . . . . 0.0 111.624 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -66.08 -22.43 66.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.473 -1.392 . . . . 0.0 113.482 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -77.36 2.04 17.12 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.44 85.05 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 116.738 1.455 . . . . 0.0 116.738 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 59.6 m -70.42 143.38 51.85 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.725 1.262 . . . . 0.0 111.498 172.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 7.4 m -105.46 135.69 46.39 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.911 1.285 . . . . 0.0 108.98 168.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -137.22 162.65 32.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.49 1.516 . . . . 0.0 111.495 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -97.43 144.7 26.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.696 1.198 . . . . 0.0 113.854 -165.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.2 ptm -150.07 167.54 26.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.676 1.191 . . . . 0.0 111.949 172.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.36 -179.1 47.59 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.048 -1.033 . . . . 0.0 114.623 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -92.27 104.77 17.09 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.596 1.158 . . . . 0.0 110.331 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.96 121.33 32.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.904 1.282 . . . . 0.0 110.605 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.01 121.17 23.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.939 0.496 . . . . 0.0 112.132 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 81.6 mt -116.12 152.3 33.93 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 127.995 2.518 . . . . 0.0 112.169 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.61 133.21 47.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.748 0.819 . . . . 0.0 112.041 165.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -84.76 160.53 20.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.854 1.262 . . . . 0.0 112.26 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -100.5 161.82 13.35 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.919 1.288 . . . . 0.0 111.127 169.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -112.44 80.12 1.3 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.872 1.269 . . . . 0.0 110.924 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.3 mt -142.3 -18.67 0.71 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.818 1.647 . . . . 0.0 114.298 -168.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -139.37 152.11 46.87 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.787 1.635 . . . . 0.0 112.106 -167.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 41.8 m -115.31 146.63 41.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 124.206 1.002 . . . . 0.0 112.992 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -62.48 152.59 34.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.592 1.557 . . . . 0.0 111.405 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -82.6 130.1 35.06 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.413 -0.804 . . . . 0.0 112.483 -175.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 65.2 mt 50.09 69.61 0.59 Allowed 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.622 1.969 . . . . 0.0 113.978 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 . . . . . 0 C--O 1.244 0.786 0 C-N-CA 126.492 1.917 . . . . 0.0 112.467 174.11 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo . . . . . 0 C--O 1.237 0.458 0 CA-C-O 119.106 -0.456 . . . . 0.0 112.762 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.1 128.21 35.34 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 118.877 0.762 . . . . 0.0 112.137 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.73 151.38 48.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.752 2.021 . . . . 0.0 112.025 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -121.77 140.38 52.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.726 2.01 . . . . 0.0 110.69 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -82.07 103.25 11.56 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 111.341 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt -91.94 -18.81 23.18 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -109.96 -2.05 17.35 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 120.932 1.697 . . . . 0.0 114.606 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.46 24.01 25.01 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 164.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -128.05 19.64 6.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.746 1.619 . . . . 0.0 114.033 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.81 156.41 32.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 125.551 1.548 . . . . 0.0 114.87 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.3 134.74 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 121.32 -1.106 . . . . 0.0 111.171 -172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -125.23 153.38 43.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.68 1.592 . . . . 0.0 114.283 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -131.88 163.69 27.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.962 1.305 . . . . 0.0 113.21 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -143.09 171.83 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 128.072 2.549 . . . . 0.0 110.887 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.01 139.17 31.01 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.063 0.945 . . . . 0.0 112.677 162.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.9 m -75.56 118.91 18.92 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 125.436 1.494 . . . . 0.0 109.806 166.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -68.31 145.96 53.73 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.38 -0.825 . . . . 0.0 111.631 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.41 -6.87 42.17 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 118.128 -1.374 . . . . 0.0 115.312 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 51.37 30.71 6.35 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.773 2.029 . . . . 0.0 116.172 170.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -82.1 -2.45 52.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.386 -1.446 . . . . 0.0 114.898 -172.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.89 162.05 5.4 Favored Glycine 0 C--N 1.34 0.75 0 C-N-CA 124.263 0.935 . . . . 0.0 114.243 -170.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.8 p -67.34 174.19 3.47 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 124.944 1.297 . . . . 0.0 112.992 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.6 -12.45 53.31 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.92 1.288 . . . . 0.0 114.218 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -113.24 -4.81 13.67 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 125.506 1.522 . . . . 0.0 114.115 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -85.8 97.36 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.045 1.738 . . . . 0.0 110.4 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -112.13 -8.21 14.02 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -170.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -82.77 66.21 8.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.161 0.984 . . . . 0.0 110.593 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.1 mtm105 -133.86 165.19 25.57 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.121 1.768 . . . . 0.0 113.089 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -133.75 64.26 1.61 Allowed 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 127.15 2.18 . . . . 0.0 108.964 172.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.25 -142.33 16.36 Favored Glycine 0 C--O 1.221 -0.715 0 C-N-CA 125.832 1.682 . . . . 0.0 112.287 -166.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.0 pt -77.58 171.37 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-O 121.925 0.869 . . . . 0.0 112.457 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -101.09 179.03 4.49 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.484 1.913 . . . . 0.0 111.099 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 p -93.62 -19.09 21.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 126.666 1.986 . . . . 0.0 113.228 166.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.62 147.56 23.34 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.177 1.791 . . . . 0.0 111.201 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.2 m -159.04 119.45 3.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.411 1.885 . . . . 0.0 109.826 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.05 148.67 18.97 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 124.8 1.19 . . . . 0.0 114.929 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -144.73 169.81 17.3 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 125.404 1.482 . . . . 0.0 112.829 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.77 135.95 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 124.934 1.294 . . . . 0.0 110.864 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -59.92 145.85 44.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.142 -0.973 . . . . 0.0 112.78 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.75 -17.04 62.63 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -77.19 -11.77 59.86 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 119.972 1.26 . . . . 0.0 113.693 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -118.46 -172.69 2.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.956 3.302 . . . . 0.0 111.889 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.77 165.45 37.53 Favored Glycine 0 N--CA 1.448 -0.522 0 O-C-N 120.576 -1.327 . . . . 0.0 116.066 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.9 mt -100.66 132.34 46.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.106 2.162 . . . . 0.0 112.258 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -76.32 130.43 38.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 119.737 1.153 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.61 167.68 4.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 125.149 1.379 . . . . 0.0 112.524 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -147.62 130.62 16.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 109.616 166.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -74.03 124.2 25.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.897 0.879 . . . . 0.0 110.674 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.09 -0.8 43.77 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.441 1.496 . . . . 0.0 114.524 -175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -138.78 3.31 2.25 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.37 12.85 83.88 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 120.625 -1.297 . . . . 0.0 115.909 167.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -75.81 -9.47 58.62 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 119.363 1.581 . . . . 0.0 114.026 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.07 5.68 82.9 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 126.313 1.911 . . . . 0.0 114.801 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -124.05 149.83 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 127.495 2.318 . . . . 0.0 109.97 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.61 106.19 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.355 . . . . 0.0 108.896 168.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -137.12 0.92 2.4 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -165.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -133.91 145.98 50.11 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.828 1.651 . . . . 0.0 109.646 169.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.99 -27.67 65.05 Favored Glycine 0 N--CA 1.447 -0.614 0 O-C-N 120.927 -1.108 . . . . 0.0 114.245 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -16.12 44.37 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.39 -15.25 43.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.908 1.283 . . . . 0.0 113.176 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.31 143.26 28.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.646 1.578 . . . . 0.0 110.276 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -80.67 105.45 11.92 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.009 -1.057 . . . . 0.0 110.164 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.66 178.2 31.55 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.808 1.194 . . . . 0.0 114.415 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.44 150.0 44.69 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 121.378 -1.072 . . . . 0.0 111.985 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.58 16.75 6.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.557 2.343 . . . . 0.0 115.146 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -67.76 125.39 26.08 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.736 -1.227 . . . . 0.0 109.386 168.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -84.86 133.73 34.3 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 124.212 1.005 . . . . 0.0 111.72 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -105.95 166.02 10.78 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 127.087 2.155 . . . . 0.0 111.708 -165.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.32 -18.81 64.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -93.9 7.38 45.22 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.953 1.301 . . . . 0.0 113.633 172.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.46 -7.44 78.94 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 126.596 2.046 . . . . 0.0 115.763 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.6 m -72.29 163.89 27.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 118.678 1.239 . . . . 0.0 112.832 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -113.83 136.72 52.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.82 131.7 42.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 113.283 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -64.23 -30.3 71.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 174.97 12.44 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 127.493 2.317 . . . . 0.0 110.777 177.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.21 -32.04 75.25 Favored Glycine 0 C--N 1.341 0.82 0 O-C-N 121.209 -0.932 . . . . 0.0 115.377 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.498 1.149 . . . . 0.0 112.136 173.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 -31.25 71.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.887 0.767 . . . . 0.0 112.666 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.22 89.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.729 0.695 . . . . 0.0 111.85 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 tp -74.01 -33.73 63.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.038 0.935 . . . . 0.0 112.924 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.74 -16.7 63.34 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.393 1.477 . . . . 0.0 114.972 -173.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.75 -13.93 60.31 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.73 1.212 . . . . 0.0 114.183 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.16 -2.89 54.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -71.33 117.67 13.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 118.786 0.721 . . . . 0.0 109.674 170.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -90.83 -27.62 18.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -168.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -110.97 -16.47 13.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.041 1.736 . . . . 0.0 113.813 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.07 74.77 0.95 Allowed Glycine 0 C--N 1.334 0.429 0 C-N-CA 123.908 0.766 . . . . 0.0 112.714 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -135.49 8.41 3.36 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.025 1.33 . . . . 0.0 114.366 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 70.54 6.73 5.94 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 127.394 2.278 . . . . 0.0 115.821 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.9 pt -129.82 147.49 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 122.838 1.304 . . . . 0.0 112.978 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -97.3 114.85 35.46 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 167.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -144.86 169.1 18.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 111.642 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.401 ' HA ' ' CD2' ' A' ' 99' ' ' PHE . . . -59.56 -20.45 55.77 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -171.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.62 61.35 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 172.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -75.41 131.72 40.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 120.078 1.308 . . . . 0.0 111.963 172.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.6 66.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.96 -18.91 49.21 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.401 ' CD2' ' HA ' ' A' ' 94' ' ' ALA . 52.9 t80 -59.36 -40.97 88.16 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.384 -1.448 . . . . 0.0 113.809 -169.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -68.09 -15.22 63.5 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -92.82 -9.52 40.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.002 1.721 . . . . 0.0 114.379 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.99 147.32 51.79 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.729 1.15 . . . . 0.0 111.073 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -141.99 165.37 27.65 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.428 1.891 . . . . 0.0 110.375 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 51.6 t -121.94 121.77 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.934 0.893 . . . . 0.0 109.697 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -91.4 122.0 33.62 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.675 1.19 . . . . 0.0 111.14 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -118.38 99.76 7.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.095 1.358 . . . . 0.0 109.755 171.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.57 105.46 10.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.589 -0.694 . . . . 0.0 111.342 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.92 -29.76 67.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.568 0.747 . . . . 0.0 112.995 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -79.55 -8.32 59.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.286 1.034 . . . . 0.0 112.246 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 57.08 27.01 12.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.131 2.172 . . . . 0.0 113.267 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.58 -15.87 15.19 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.03 17.5 77.17 Favored Glycine 0 C--O 1.219 -0.783 0 CA-C-N 118.889 0.768 . . . . 0.0 113.681 -174.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.5 mm -97.38 104.23 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 170.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.2 t -70.13 133.92 47.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -171.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -123.61 152.43 41.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.962 1.305 . . . . 0.0 110.391 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -21.06 66.44 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -71.79 -24.18 61.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.478 1.111 . . . . 0.0 113.879 172.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -81.58 -5.64 58.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -171.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.09 123.9 36.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.521 1.128 . . . . 0.0 110.876 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -96.19 150.47 20.49 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.647 1.979 . . . . 0.0 110.799 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.6 p -72.62 159.08 34.45 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 123.173 0.589 . . . . 0.0 111.648 161.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.286 0.634 . . . . 0.0 110.683 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.75 -43.88 97.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.378 1.071 . . . . 0.0 112.472 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.16 -13.48 60.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.78 0.09 56.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.062 1.345 . . . . 0.0 113.095 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.34 24.49 76.66 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 125.143 1.354 . . . . 0.0 114.385 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.3 mt -83.3 124.23 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 124.39 1.076 . . . . 0.0 108.702 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -100.86 -41.98 6.63 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.25 1.02 . . . . 0.0 112.345 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.9 p -156.28 161.94 40.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.242 1.017 . . . . 0.0 112.517 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.2 mp -126.78 132.97 50.93 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.96 144.95 45.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 119.356 0.98 . . . . 0.0 112.558 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.4 mt -90.09 9.45 28.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.567 1.147 . . . . 0.0 113.625 163.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -99.88 132.62 45.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.963 2.505 . . . . 0.0 112.219 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -153.24 163.25 40.22 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.962 1.305 . . . . 0.0 112.973 -171.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -135.32 142.43 45.81 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.764 1.626 . . . . 0.0 111.578 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.1 133.31 46.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.747 1.619 . . . . 0.0 111.794 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.13 -21.37 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 125.414 1.486 . . . . 0.0 114.08 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 46.67 40.41 8.55 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 126.068 1.747 . . . . 0.0 114.646 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.81 122.09 32.56 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.537 1.535 . . . . 0.0 112.021 -162.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -72.1 128.65 36.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 122.557 0.343 . . . . 0.0 111.365 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.08 1.43 24.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 88.5 169.59 45.04 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 126.016 1.769 . . . . 0.0 113.953 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 48.19 34.19 4.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.574 1.95 . . . . 0.0 113.857 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.32 6.88 88.8 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 125.516 1.532 . . . . 0.0 116.407 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -96.94 145.27 26.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.324 1.562 . . . . 0.0 112.407 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.1 m -136.87 129.52 30.37 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.861 0.864 . . . . 0.0 112.874 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.6 tt -81.59 112.46 18.82 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.08 0.952 . . . . 0.0 108.757 167.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.33 -59.71 2.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.423 -0.798 . . . . 0.0 112.502 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.96 142.6 47.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.01 1.324 . . . . 0.0 112.864 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -122.1 144.33 48.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.57 1.948 . . . . 0.0 112.268 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.6 -146.6 4.64 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 128.552 2.977 . . . . 0.0 111.119 170.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.3 m -145.24 164.81 30.23 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -121.9 152.76 39.28 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.192 1.797 . . . . 0.0 110.957 163.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.3 m -106.95 135.19 48.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.276 1.83 . . . . 0.0 110.499 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -103.25 159.67 15.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.594 1.558 . . . . 0.0 114.542 -173.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 44.1 p -63.96 -24.29 67.67 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.725 1.61 . . . . 0.0 114.074 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -79.86 2.99 21.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.071 1.748 . . . . 0.0 114.924 172.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.56 8.21 86.43 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 125.485 1.517 . . . . 0.0 116.153 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.1 p -98.95 172.75 7.22 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.205 1.503 . . . . 0.0 112.781 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.8 p -114.76 157.83 22.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.814 1.646 . . . . 0.0 111.521 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.27 157.76 43.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.995 1.318 . . . . 0.0 111.304 168.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -78.91 147.67 32.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -171.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -149.89 162.59 40.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.72 1.608 . . . . 0.0 110.474 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.84 173.58 46.14 Favored Glycine 0 N--CA 1.444 -0.825 0 O-C-N 121.362 -0.836 . . . . 0.0 114.798 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -82.09 119.83 24.53 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 117.964 0.882 . . . . 0.0 110.264 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 20.1 tp -117.29 117.69 30.23 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.777 1.631 . . . . 0.0 110.397 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 37.3 mt -78.64 116.1 18.78 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.736 1.614 . . . . 0.0 108.745 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.9 mt -92.4 132.48 36.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.533 1.133 . . . . 0.0 110.829 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -80.0 147.91 31.35 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -165.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -148.88 153.12 37.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.091 1.756 . . . . 0.0 110.079 168.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -70.12 151.59 45.28 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 121.103 -0.998 . . . . 0.0 112.973 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 59.91 -28.52 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.313 2.645 . . . . 0.0 116.01 -171.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.57 114.97 5.93 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.188 1.795 . . . . 0.0 111.91 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -79.19 150.05 31.77 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.446 1.098 . . . . 0.0 111.369 170.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 87.7 p -142.38 165.56 27.08 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.453 1.501 . . . . 0.0 113.235 -171.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -77.61 50.32 0.81 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 126.262 1.825 . . . . 0.0 114.619 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -96.09 -17.9 20.56 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 91.9 mt -83.54 147.0 28.03 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.994 1.318 . . . . 0.0 112.381 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.567 1.547 . . . . 0.0 113.787 -179.448 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.466 -0.141 0 N-CA-C 113.016 0.352 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.15 126.78 28.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.93 153.77 39.26 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.1 2.56 . . . . 0.0 111.768 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -133.71 140.99 47.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.322 1.449 . . . . 0.0 111.511 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.96 127.14 36.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.899 1.679 . . . . 0.0 110.891 167.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.94 -29.62 18.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -104.06 -5.09 22.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.31 12.8 66.91 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.91 1.232 . . . . 0.0 115.038 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -115.65 2.55 13.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.778 2.031 . . . . 0.0 114.268 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.2 160.54 27.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 126.466 1.984 . . . . 0.0 115.453 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -84.02 132.25 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 124.925 1.29 . . . . 0.0 110.765 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.45 169.56 11.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 126.966 2.106 . . . . 0.0 112.273 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -130.75 165.82 22.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -114.24 158.18 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 125.484 1.514 . . . . 0.0 111.91 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.58 136.25 51.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.962 0.905 . . . . 0.0 111.475 172.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 p -136.18 -20.65 1.43 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -174.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -69.37 152.19 45.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.58 -127.7 0.23 Allowed Glycine 0 CA--C 1.523 0.57 0 C-N-CA 125.597 1.57 . . . . 0.0 111.123 163.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -69.63 151.13 46.28 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.4 p -70.52 -14.59 62.58 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.501 1.92 . . . . 0.0 115.41 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.75 176.1 47.5 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 125.085 1.326 . . . . 0.0 113.782 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -127.36 158.49 37.12 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.116 1.366 . . . . 0.0 111.375 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 99.2 mt -127.32 -20.27 4.1 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.756 1.623 . . . . 0.0 113.493 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -132.9 146.2 51.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.472 1.909 . . . . 0.0 108.919 171.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -90.37 118.82 30.16 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.214 0.461 . . . . 0.0 110.229 162.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -161.4 160.15 29.09 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -74.86 5.38 5.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.672 1.589 . . . . 0.0 113.09 169.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 61.33 23.97 14.14 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.352 2.261 . . . . 0.0 115.684 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -109.62 -16.31 13.97 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.31 -27.78 67.33 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 124.456 1.027 . . . . 0.0 114.557 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.7 tt -149.43 141.15 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 126.48 1.912 . . . . 0.0 109.552 168.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -71.62 140.09 49.6 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 121.101 -1.0 . . . . 0.0 112.795 -175.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.3 p -125.81 -175.14 3.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 128.268 2.627 . . . . 0.0 109.781 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.85 130.01 41.11 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 120.116 1.325 . . . . 0.0 111.921 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.3 p -112.49 148.34 34.63 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.899 1.28 . . . . 0.0 113.209 -166.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.45 151.11 48.97 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.715 1.15 . . . . 0.0 115.526 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -149.33 162.32 40.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.0 m -91.73 155.39 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.988 2.915 . . . . 0.0 113.326 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.42 156.68 1.69 Allowed 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 120.513 -1.367 . . . . 0.0 113.291 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -19.94 58.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -91.87 -7.12 50.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.851 1.66 . . . . 0.0 113.71 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -116.97 176.69 5.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 127.18 2.192 . . . . 0.0 110.658 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.31 170.98 35.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 120.481 -1.387 . . . . 0.0 115.658 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.05 150.05 26.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 112.28 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -77.9 129.12 34.97 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 110.493 168.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.4 172.07 9.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.34 1.056 . . . . 0.0 112.256 -174.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -150.02 145.7 26.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.455 1.502 . . . . 0.0 110.964 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -96.04 120.23 35.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.745 0.702 . . . . 0.0 109.862 168.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.4 -4.24 42.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.361 1.464 . . . . 0.0 114.556 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -138.84 11.57 2.67 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.44 21.0 72.15 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 115.965 1.146 . . . . 0.0 115.965 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -88.7 -2.48 58.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.837 1.318 . . . . 0.0 114.555 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.7 0.33 89.2 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 126.603 2.049 . . . . 0.0 115.936 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.0 pt -137.02 167.23 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 125.726 1.611 . . . . 0.0 112.887 -173.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 36.2 mm -93.81 123.48 45.93 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 C-N-CA 126.057 1.743 . . . . 0.0 108.864 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.32 -20.07 0.15 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -103.24 147.4 27.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.85 1.204 . . . . 0.0 112.371 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.29 -20.67 51.46 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 124.949 1.261 . . . . 0.0 115.965 -174.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.48 1.83 54.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.012 1.406 . . . . 0.0 114.364 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.15 -13.53 38.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -170.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.4 mt -98.82 156.59 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.952 1.701 . . . . 0.0 110.44 162.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 72.2 m-85 -101.77 106.68 17.71 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.077 0.951 . . . . 0.0 110.605 176.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 -175.14 28.28 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.302 0.501 . . . . 0.0 114.332 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.74 158.3 13.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.311 -0.523 . . . . 0.0 111.423 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 61.53 4.11 0.94 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.568 1.947 . . . . 0.0 115.712 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -67.11 128.78 37.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.304 -1.497 . . . . 0.0 110.595 170.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -77.64 138.21 38.98 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.222 0.609 . . . . 0.0 111.69 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.2 mt -107.14 167.61 9.79 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 127.326 2.25 . . . . 0.0 111.431 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.66 -31.73 71.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -167.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -79.14 -1.28 35.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 114.038 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 7.43 84.13 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 124.279 0.942 . . . . 0.0 115.189 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -79.53 169.54 17.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 118.823 1.311 . . . . 0.0 112.215 166.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -125.0 140.1 53.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.809 1.244 . . . . 0.0 110.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.94 138.3 47.98 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.37 1.068 . . . . 0.0 113.453 -174.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -78.91 -25.49 43.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.14 1.376 . . . . 0.0 114.315 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -159.88 170.79 20.67 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.882 2.073 . . . . 0.0 110.986 173.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.86 -30.16 74.41 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.6 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -66.7 -40.89 88.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.854 1.327 . . . . 0.0 112.06 173.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.73 -26.26 66.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.01 0.823 . . . . 0.0 113.16 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.43 67.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 tp -80.41 -34.93 35.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.236 1.014 . . . . 0.0 113.262 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -14.85 61.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -62.21 -25.41 67.78 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.088 0.955 . . . . 0.0 113.27 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt -88.24 -3.73 58.82 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -72.87 125.55 27.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.209 0.913 . . . . 0.0 110.858 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.0 m -90.33 -34.81 15.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -110.43 -1.87 16.86 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.338 1.455 . . . . 0.0 114.746 -171.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.02 33.56 45.08 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 120.028 1.286 . . . . 0.0 115.115 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -95.08 -5.38 44.41 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.905 1.353 . . . . 0.0 113.303 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.6 t30 63.88 31.71 13.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.127 2.171 . . . . 0.0 114.366 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.93 153.8 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 125.476 1.51 . . . . 0.0 111.308 164.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.07 115.15 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 124.846 1.258 . . . . 0.0 108.804 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.24 170.55 18.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 111.674 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.65 60.39 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -165.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.19 60.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.571 -1.331 . . . . 0.0 113.94 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.21 135.36 44.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.264 1.026 . . . . 0.0 111.566 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.42 67.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -165.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.73 -15.65 47.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.12 -40.27 73.48 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -161.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.62 -10.12 59.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 119.637 1.108 . . . . 0.0 113.978 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.8 m -78.97 -23.82 44.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.718 1.607 . . . . 0.0 112.718 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 154.62 40.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.94 1.696 . . . . 0.0 112.264 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.1 mmt-85 -142.23 168.49 19.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.887 2.075 . . . . 0.0 111.022 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.46 143.09 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.889 1.676 . . . . 0.0 108.916 166.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -119.99 129.85 54.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.342 1.057 . . . . 0.0 110.85 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.71 129.04 50.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.283 1.433 . . . . 0.0 107.923 166.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.61 87.17 6.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.159 0.891 . . . . 0.0 110.336 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.44 -17.54 63.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -162.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -111.74 -4.18 14.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.898 1.679 . . . . 0.0 114.311 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 51.27 49.74 20.43 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 114.125 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -85.26 -19.0 32.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.169 -0.957 . . . . 0.0 112.453 173.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.58 16.55 58.39 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.869 1.224 . . . . 0.0 114.118 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.3 mt -137.8 141.92 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 126.902 2.081 . . . . 0.0 109.011 -170.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.9 p -92.54 148.52 22.02 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.875 -1.141 . . . . 0.0 112.868 171.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -135.13 159.51 41.31 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.944 1.298 . . . . 0.0 110.614 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.83 -31.79 66.98 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -167.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -83.85 -20.17 33.6 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.516 1.053 . . . . 0.0 113.173 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -14.54 58.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.275 1.43 . . . . 0.0 113.693 -169.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.3 mt -83.85 132.7 34.78 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.051 -1.031 . . . . 0.0 110.932 170.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -114.98 150.18 36.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.425 1.89 . . . . 0.0 112.032 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 46.4 p -78.22 161.67 27.13 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.862 1.265 . . . . 0.0 112.294 168.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.96 -42.84 84.53 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.789 -0.569 . . . . 0.0 111.139 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.35 -36.79 77.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.27 -21.81 62.93 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.0 mt -90.59 1.65 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.919 1.688 . . . . 0.0 113.317 170.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.83 24.83 73.32 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 124.739 1.162 . . . . 0.0 115.306 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.0 mt -85.65 128.17 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 118.853 1.327 . . . . 0.0 108.883 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -102.04 -42.09 6.21 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.667 1.587 . . . . 0.0 112.559 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.6 p -158.6 156.45 30.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.306 0.957 . . . . 0.0 112.708 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 mt -107.65 135.87 48.36 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.669 1.188 . . . . 0.0 109.562 174.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -86.23 130.92 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.567 0.747 . . . . 0.0 110.918 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -87.14 -6.24 58.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -88.92 151.54 22.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.748 1.219 . . . . 0.0 112.506 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -155.59 168.74 26.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 125.179 1.391 . . . . 0.0 113.175 -171.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -133.11 141.28 48.08 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.84 1.656 . . . . 0.0 110.671 166.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.89 138.18 52.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.287 1.035 . . . . 0.0 111.339 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.46 -23.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 126.839 2.056 . . . . 0.0 114.074 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.5 m120 47.71 36.1 5.28 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 127.457 2.303 . . . . 0.0 114.925 174.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -91.72 134.1 35.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.119 1.767 . . . . 0.0 111.801 -163.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.06 129.17 39.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.653 -0.654 . . . . 0.0 110.609 171.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.74 14.21 31.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 173.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.92 170.31 42.84 Favored Glycine 0 C--N 1.339 0.747 0 C-N-CA 124.687 1.137 . . . . 0.0 114.035 -170.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 52.48 24.74 3.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.871 1.668 . . . . 0.0 115.347 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.98 76.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 125.515 1.531 . . . . 0.0 116.031 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -99.05 144.39 28.25 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 119.121 1.46 . . . . 0.0 112.532 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.1 m -127.97 117.55 21.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.328 1.051 . . . . 0.0 112.227 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.23 103.85 6.46 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.549 0.74 . . . . 0.0 109.092 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.26 -50.86 35.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 122.141 -0.349 . . . . 0.0 111.352 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -142.51 144.7 33.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.913 1.285 . . . . 0.0 111.538 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -127.24 147.02 50.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.582 1.553 . . . . 0.0 111.694 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.81 7.82 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 127.512 2.482 . . . . 0.0 110.444 172.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 89.6 p -124.48 168.26 13.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -134.54 160.49 37.89 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 124.873 1.269 . . . . 0.0 110.312 161.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.5 m -112.35 139.93 47.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 125.663 1.585 . . . . 0.0 111.449 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -102.0 163.49 12.22 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.218 1.807 . . . . 0.0 113.851 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.9 p -66.83 -12.34 58.71 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.652 1.981 . . . . 0.0 114.867 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -96.79 6.43 48.7 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.963 1.705 . . . . 0.0 114.302 167.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.71 -5.63 77.61 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 125.806 1.669 . . . . 0.0 115.725 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.8 p -80.4 173.8 12.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 120.067 1.933 . . . . 0.0 112.612 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 78.6 p -129.99 164.96 23.15 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.515 1.126 . . . . 0.0 112.403 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.66 170.9 18.07 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.725 1.61 . . . . 0.0 110.816 165.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -75.85 148.23 38.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.2 ptm -141.31 165.1 28.44 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.812 1.645 . . . . 0.0 109.761 162.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.28 171.31 44.31 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 120.913 -1.117 . . . . 0.0 114.358 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.49 111.03 20.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.428 0.633 . . . . 0.0 110.412 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 43.7 tp -104.52 111.09 23.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.893 1.677 . . . . 0.0 110.772 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.9 mt -77.21 122.08 24.55 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.551 1.54 . . . . 0.0 109.401 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt -87.52 147.25 25.44 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.262 1.025 . . . . 0.0 111.354 -167.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.65 158.69 23.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.711 1.205 . . . . 0.0 112.633 172.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -145.85 124.74 12.7 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.898 1.279 . . . . 0.0 111.864 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -80.03 170.71 16.08 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.067 1.747 . . . . 0.0 112.49 -176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -73.13 157.03 38.03 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.1 1.36 . . . . 0.0 113.172 171.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 34.9 tp -75.84 93.91 3.24 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.478 0.711 . . . . 0.0 110.545 165.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -85.82 -27.28 25.22 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.421 1.488 . . . . 0.0 113.223 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 61.1 m -81.39 158.52 24.61 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 126.39 1.876 . . . . 0.0 113.141 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -85.49 48.17 1.54 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.629 1.572 . . . . 0.0 113.27 -171.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -94.9 -13.04 25.79 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -172.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 86.3 mt -115.41 14.55 16.74 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.632 1.573 . . . . 0.0 112.229 169.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 126.676 1.99 . . . . 0.0 111.646 173.58 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.214 0 N-CA-C 113.008 0.349 . . . . 0.0 113.008 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -59.79 118.93 6.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.97 0.508 . . . . 0.0 111.641 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.37 147.77 31.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.938 2.095 . . . . 0.0 110.638 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.27 134.34 55.12 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.588 1.955 . . . . 0.0 109.335 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.72 107.32 7.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 109.112 163.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.01 -10.26 50.92 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.896 -0.503 . . . . 0.0 112.233 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.73 -19.23 20.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 29.81 27.77 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.52 1.057 . . . . 0.0 114.42 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -143.42 23.84 1.78 Allowed 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.443 1.497 . . . . 0.0 114.965 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.78 168.07 43.06 Favored Glycine 0 CA--C 1.526 0.72 0 O-C-N 120.643 -1.286 . . . . 0.0 114.502 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -82.19 135.46 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 124.885 1.274 . . . . 0.0 110.76 -171.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.93 163.52 32.67 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.903 1.281 . . . . 0.0 113.921 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 p -131.73 166.46 21.47 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.362 1.465 . . . . 0.0 113.157 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.34 159.49 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 126.082 1.753 . . . . 0.0 112.77 -178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.05 72.32 3.39 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 126.0 1.72 . . . . 0.0 113.08 -171.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.7 p -118.97 -8.83 10.17 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -162.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -105.34 160.01 15.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 119.624 1.102 . . . . 0.0 112.755 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.1 150.62 5.31 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 125.648 1.594 . . . . 0.0 112.98 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -79.55 132.2 36.23 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.38 2.272 . . . . 0.0 111.261 -6.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -104.88 -11.42 16.74 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -174.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.52 -160.93 31.47 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 124.587 1.089 . . . . 0.0 112.338 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m -64.48 173.41 2.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.881 1.672 . . . . 0.0 112.794 170.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.18 139.98 30.58 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 121.018 -1.051 . . . . 0.0 110.224 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -124.07 -11.59 7.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.486 1.515 . . . . 0.0 113.122 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.11 -179.1 4.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 128.762 2.825 . . . . 0.0 110.42 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -24.18 67.61 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -142.39 153.57 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 126.533 1.933 . . . . 0.0 112.097 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -57.05 -24.9 57.16 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.693 1.597 . . . . 0.0 114.956 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -88.66 -2.82 58.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.35 166.95 50.28 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 123.979 0.799 . . . . 0.0 115.026 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -64.25 -17.74 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -167.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -105.58 -22.45 12.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.15 1.38 . . . . 0.0 112.583 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -97.73 -28.74 13.75 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.827 1.651 . . . . 0.0 113.349 -174.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.98 141.96 58.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.13 -0.981 . . . . 0.0 111.89 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.5 p -137.65 156.27 48.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.583 1.953 . . . . 0.0 111.044 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.89 -170.47 41.89 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 120.855 -1.153 . . . . 0.0 115.324 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -109.9 173.52 6.29 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.936 1.694 . . . . 0.0 114.151 -162.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.2 136.63 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.289 1.436 . . . . 0.0 110.391 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 t -61.49 153.19 28.04 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.195 0.998 . . . . 0.0 113.101 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.77 -23.85 67.53 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -174.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.41 -9.66 59.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.848 1.259 . . . . 0.0 113.566 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -120.33 179.04 4.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 128.252 2.621 . . . . 0.0 111.691 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.69 178.46 33.99 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 120.554 -1.341 . . . . 0.0 115.795 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 mt -115.16 135.7 53.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.854 1.662 . . . . 0.0 110.994 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.2 tp -77.2 126.9 31.69 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.037 0.935 . . . . 0.0 110.483 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.66 162.09 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.294 1.038 . . . . 0.0 112.62 -169.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -148.29 118.94 7.48 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.445 1.498 . . . . 0.0 109.47 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -80.95 111.28 17.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.481 -0.762 . . . . 0.0 110.855 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.81 -6.92 44.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.364 1.466 . . . . 0.0 113.88 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -126.65 11.47 7.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.45 27.91 73.01 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 115.929 1.132 . . . . 0.0 115.929 162.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -96.94 -6.7 34.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.3 2.47 76.98 Favored Glycine 0 C--N 1.34 0.789 0 C-N-CA 126.011 1.767 . . . . 0.0 115.836 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 pt -136.74 165.22 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 125.87 1.668 . . . . 0.0 112.17 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.5 mm -105.42 106.87 21.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 C-N-CA 125.185 1.394 . . . . 0.0 109.787 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -148.7 12.82 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -166.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -128.13 138.13 52.39 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.614 1.166 . . . . 0.0 109.056 160.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.49 -14.15 40.8 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.464 -1.186 . . . . 0.0 116.051 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.46 50.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.515 1.658 . . . . 0.0 114.011 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -73.1 -22.02 60.64 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.515 1.526 . . . . 0.0 113.292 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.61 129.44 34.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.306 1.042 . . . . 0.0 108.878 162.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -67.54 107.8 2.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.498 0.59 . . . . 0.0 110.116 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.67 -169.84 36.44 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 121.901 0.723 . . . . 0.0 113.145 -170.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -68.71 3.13 2.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -113.46 0.08 14.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.836 1.254 . . . . 0.0 113.635 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -80.18 141.69 35.43 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.184 1.394 . . . . 0.0 111.246 169.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -90.31 148.19 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.575 1.15 . . . . 0.0 112.54 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 179.77 5.45 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 127.865 2.466 . . . . 0.0 111.39 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -13.32 62.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -168.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -98.42 0.7 45.81 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.686 -1.259 . . . . 0.0 113.485 170.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.09 84.15 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 126.189 1.852 . . . . 0.0 115.391 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 m -71.81 146.89 47.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 120.193 1.996 . . . . 0.0 111.468 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.23 137.2 39.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 121.398 -0.814 . . . . 0.0 111.982 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.32 144.18 53.6 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.382 1.073 . . . . 0.0 112.972 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -71.81 -27.69 63.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.01 173.27 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.642 1.977 . . . . 0.0 111.232 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.13 73.78 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.699 1.142 . . . . 0.0 114.82 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.88 -33.02 71.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.405 1.103 . . . . 0.0 112.96 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -41.31 73.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.399 0.999 . . . . 0.0 110.814 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.95 82.71 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.015 0.926 . . . . 0.0 113.483 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.2 tp -79.47 -38.88 33.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.76 -21.74 66.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -175.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.16 -21.47 66.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.3 mt -87.85 -0.49 57.03 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -76.92 91.19 3.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.176 1.39 . . . . 0.0 111.375 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -64.38 -26.82 68.63 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -107.06 -16.67 14.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.376 1.47 . . . . 0.0 114.538 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.2 54.94 4.54 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-N 119.754 1.161 . . . . 0.0 113.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -110.22 -0.37 17.83 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.708 1.603 . . . . 0.0 113.215 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.253 2.2 t30 71.44 21.84 4.41 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.947 2.099 . . . . 0.0 114.781 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.81 154.74 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 125.326 1.451 . . . . 0.0 112.31 166.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.81 117.39 49.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 C-N-CA 125.073 1.349 . . . . 0.0 109.542 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -152.77 168.36 25.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.328 1.851 . . . . 0.0 112.665 -169.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.82 -14.47 15.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.99 -20.02 56.58 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -75.24 140.55 43.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.953 1.301 . . . . 0.0 112.796 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.58 -26.82 66.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -165.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.25 -15.38 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.062 1.345 . . . . 0.0 114.402 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.85 -38.03 69.53 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.612 1.551 . . . . 0.0 114.887 -164.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -73.22 -9.71 59.0 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.0 p -86.49 -8.13 57.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.56 142.91 42.65 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.743 -1.223 . . . . 0.0 112.263 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -143.2 166.78 23.76 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.441 1.897 . . . . 0.0 110.723 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -121.84 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 C-N-CA 124.236 1.015 . . . . 0.0 109.118 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -106.47 121.08 43.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 125.35 1.46 . . . . 0.0 110.548 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -116.84 99.09 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.333 1.453 . . . . 0.0 108.301 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -70.56 112.66 6.98 Favored 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.875 -0.515 . . . . 0.0 110.925 -173.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.35 -15.52 57.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.56 6.29 18.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.868 1.267 . . . . 0.0 113.936 167.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 51.29 43.0 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 127.959 2.504 . . . . 0.0 114.543 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -102.43 -17.28 15.89 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.37 24.82 67.26 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 119.726 1.148 . . . . 0.0 114.755 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -108.33 125.68 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 C-N-CA 125.528 1.531 . . . . 0.0 107.965 166.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 t -87.83 131.9 34.37 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.485 1.038 . . . . 0.0 113.519 -167.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -132.43 151.76 51.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.561 1.544 . . . . 0.0 111.057 171.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -25.75 68.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 115.656 1.725 . . . . 0.0 115.656 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -66.12 -17.79 64.94 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.37 -8.16 39.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.286 1.834 . . . . 0.0 113.396 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.94 152.11 20.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.363 1.465 . . . . 0.0 111.341 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -143.27 154.6 43.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.818 2.047 . . . . 0.0 111.754 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.2 p -78.74 167.12 21.66 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.426 164.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.75 -42.05 67.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 121.488 -0.758 . . . . 0.0 112.03 173.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.46 -42.03 98.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.107 0.963 . . . . 0.0 112.813 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.63 -24.18 64.52 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 120.85 -1.156 . . . . 0.0 112.748 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.5 0.38 56.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.567 1.547 . . . . 0.0 113.587 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.13 24.0 71.65 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.478 1.037 . . . . 0.0 114.379 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.0 mt -85.64 127.9 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.552 1.176 . . . . 0.0 108.263 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -107.49 -44.81 4.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.606 0.762 . . . . 0.0 112.536 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.3 p -155.05 158.41 39.04 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 119.044 0.838 . . . . 0.0 112.322 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.94 139.7 52.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.894 1.278 . . . . 0.0 110.579 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.57 135.35 34.15 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.054 0.942 . . . . 0.0 112.298 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.5 mt -95.56 0.02 52.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.94 137.46 33.09 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 121.162 -0.961 . . . . 0.0 111.647 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -150.19 173.19 14.2 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.539 1.136 . . . . 0.0 112.496 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -126.24 137.76 53.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 127.821 2.448 . . . . 0.0 109.727 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.35 127.93 34.19 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.665 0.786 . . . . 0.0 110.864 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.44 -30.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -173.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 44.42 46.19 7.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.486 1.914 . . . . 0.0 115.168 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.9 120.57 31.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.147 1.779 . . . . 0.0 111.713 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -72.62 113.63 9.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.036 -1.04 . . . . 0.0 110.34 170.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 17.2 mt -83.79 -22.24 31.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 108.59 175.72 21.77 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 125.434 1.493 . . . . 0.0 113.607 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 53.22 31.77 12.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 113.399 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.75 2.14 86.85 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.733 2.111 . . . . 0.0 116.005 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -108.71 144.12 36.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 120.087 1.944 . . . . 0.0 113.722 -170.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 96.1 m -141.0 124.79 16.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.591 1.156 . . . . 0.0 111.917 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 18.8 tp -87.76 110.25 20.32 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.802 1.641 . . . . 0.0 110.239 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.54 8.34 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -127.62 145.34 50.91 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.09 1.756 . . . . 0.0 110.098 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -135.96 141.39 44.45 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.598 1.159 . . . . 0.0 113.134 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.33 -150.78 5.37 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 128.889 3.138 . . . . 0.0 110.896 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.4 m -138.4 171.26 14.64 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.782 1.233 . . . . 0.0 114.132 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -127.1 158.9 35.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.826 2.05 . . . . 0.0 110.77 166.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.0 m -108.62 135.91 49.08 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.57 1.548 . . . . 0.0 111.849 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -100.55 159.29 15.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.74 1.616 . . . . 0.0 113.287 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.5 p -63.27 -25.71 68.45 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.24 1.816 . . . . 0.0 114.308 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -79.4 0.57 28.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.498 1.519 . . . . 0.0 114.773 171.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.69 77.03 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 126.279 1.895 . . . . 0.0 115.35 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 41.4 p -81.22 164.81 22.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.224 1.512 . . . . 0.0 112.41 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 50.5 p -122.61 153.1 39.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.965 1.306 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.09 161.65 37.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.517 1.127 . . . . 0.0 111.131 170.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -70.77 152.33 43.89 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -172.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.0 ptm -145.77 165.13 29.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.75 1.62 . . . . 0.0 110.498 165.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.56 165.99 34.54 Favored Glycine 0 N--CA 1.443 -0.874 0 O-C-N 120.689 -1.257 . . . . 0.0 113.979 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -82.6 106.82 14.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.784 -0.833 . . . . 0.0 110.328 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.48 113.98 25.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.002 1.321 . . . . 0.0 109.862 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.53 126.5 30.0 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 167.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 70.0 mt -94.45 151.49 19.33 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.217 1.007 . . . . 0.0 113.654 -168.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.5 153.96 14.99 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.616 1.167 . . . . 0.0 112.888 163.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -151.14 157.38 42.63 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -171.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.69 152.7 31.47 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.094 0.957 . . . . 0.0 112.424 166.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -57.98 124.57 19.76 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 125.871 1.668 . . . . 0.0 112.152 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 78.9 mt -116.56 -8.3 11.53 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.957 1.703 . . . . 0.0 113.712 171.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -83.34 -26.93 30.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.68 -1.263 . . . . 0.0 113.575 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 79.0 p -143.26 -7.95 0.79 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.649 1.579 . . . . 0.0 114.603 172.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 60.07 -1.16 0.2 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 128.613 2.765 . . . . 0.0 117.384 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -72.5 145.07 47.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.634 -1.291 . . . . 0.0 112.301 173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 59.6 mt -108.79 30.04 6.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.525 1.53 . . . . 0.0 112.039 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.243 0.739 0 C-N-CA 126.886 2.075 . . . . 0.0 114.031 -171.301 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.46 -0.477 0 CA-C-O 119.324 -0.365 . . . . 0.0 112.945 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.7 mt -68.88 127.95 34.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.83 153.92 45.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.338 2.655 . . . . 0.0 111.923 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -123.68 142.47 51.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.23 1.812 . . . . 0.0 110.636 176.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.84 97.04 7.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.636 1.575 . . . . 0.0 109.334 167.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.77 -13.44 39.49 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -167.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -112.18 -2.23 15.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.97 31.79 25.28 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 116.961 1.544 . . . . 0.0 116.961 168.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -126.4 23.1 6.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 119.665 1.732 . . . . 0.0 114.583 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.73 150.71 27.44 Favored Glycine 0 C--N 1.339 0.75 0 C-N-CA 126.636 2.065 . . . . 0.0 112.8 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -70.06 128.69 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -135.69 164.13 28.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.717 1.207 . . . . 0.0 113.182 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -132.1 161.63 32.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.32 1.448 . . . . 0.0 113.878 -167.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -142.91 160.02 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 125.929 1.692 . . . . 0.0 112.115 -176.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.96 150.06 47.1 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.83 1.252 . . . . 0.0 111.816 162.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p -75.6 145.57 41.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.018 0.927 . . . . 0.0 111.635 171.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -130.87 -35.89 1.4 Allowed 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.353 1.061 . . . . 0.0 113.072 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.2 -175.74 37.08 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 123.826 0.727 . . . . 0.0 112.987 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -134.59 146.02 49.21 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.232 1.013 . . . . 0.0 112.498 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.1 p -105.94 -6.94 18.45 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 126.15 1.78 . . . . 0.0 113.756 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.63 176.31 33.22 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 119.141 0.882 . . . . 0.0 114.559 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.4 m 49.72 40.34 19.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.707 2.003 . . . . 0.0 114.182 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.31 132.58 37.51 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 123.468 0.707 . . . . 0.0 110.263 174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -138.07 179.62 6.34 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.428 1.891 . . . . 0.0 111.205 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -102.02 -9.62 20.45 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.29 1.036 . . . . 0.0 113.303 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -97.84 -7.98 29.31 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.63 1.572 . . . . 0.0 114.998 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -152.58 150.16 29.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.689 1.596 . . . . 0.0 110.721 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -93.62 -10.53 34.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -89.51 170.4 10.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.091 0.956 . . . . 0.0 113.433 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -155.81 -144.91 4.04 Favored Glycine 0 C--N 1.339 0.725 0 C-N-CA 125.792 1.663 . . . . 0.0 111.266 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.7 pt -132.93 154.13 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.807 1.643 . . . . 0.0 111.51 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -141.12 162.08 36.33 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 126.666 1.986 . . . . 0.0 112.084 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -111.64 -32.46 6.66 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.604 1.161 . . . . 0.0 112.967 169.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.23 132.92 45.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 120.813 -1.179 . . . . 0.0 111.175 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 p -111.89 -16.52 13.12 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.062 1.345 . . . . 0.0 113.479 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.1 154.19 25.42 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 124.853 1.216 . . . . 0.0 112.312 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -147.75 170.96 16.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.306 1.042 . . . . 0.0 111.863 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.23 144.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 121.613 -0.679 . . . . 0.0 110.28 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t -60.71 151.85 28.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.134 0.973 . . . . 0.0 112.533 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.0 -12.69 61.02 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.06 -11.88 60.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 119.956 1.253 . . . . 0.0 112.737 167.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -112.53 -175.04 2.58 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 128.85 2.86 . . . . 0.0 111.075 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.33 171.24 41.95 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.866 -1.146 . . . . 0.0 114.668 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.8 mt -100.93 141.11 34.29 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.413 1.485 . . . . 0.0 111.615 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 tp -78.79 131.06 36.37 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 123.862 0.865 . . . . 0.0 109.815 171.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 m -145.7 171.16 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.631 1.172 . . . . 0.0 112.368 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -143.69 145.33 32.35 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.879 1.672 . . . . 0.0 110.848 166.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -84.82 134.73 34.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.722 0.692 . . . . 0.0 109.617 165.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -105.18 -15.78 14.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.289 1.835 . . . . 0.0 113.458 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -126.96 2.11 6.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 21.66 70.92 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 120.116 1.326 . . . . 0.0 115.569 171.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -95.52 -2.38 48.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.351 1.461 . . . . 0.0 113.902 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.37 11.84 85.13 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-O 117.935 -1.48 . . . . 0.0 115.743 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.38 162.74 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.966 1.706 . . . . 0.0 111.671 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.0 mm -99.32 100.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 125.843 1.657 . . . . 0.0 109.807 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -147.8 -3.6 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.329 1.451 . . . . 0.0 114.741 -169.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -113.42 30.99 6.79 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 120.555 1.525 . . . . 0.0 114.669 -172.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -74.8 1.51 Allowed Glycine 0 C--N 1.338 0.649 0 C-N-CA 124.337 0.97 . . . . 0.0 114.581 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 2.27 0.73 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.14 2.176 . . . . 0.0 114.743 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.13 -21.2 36.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.589 2.755 . . . . 0.0 113.356 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.8 154.94 19.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.626 1.97 . . . . 0.0 110.313 165.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 70.3 m-85 -107.15 107.31 18.22 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.667 1.187 . . . . 0.0 110.948 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.55 -160.79 10.89 Favored Glycine 0 C--N 1.335 0.487 0 CA-C-N 118.776 0.716 . . . . 0.0 114.649 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -66.7 149.33 50.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.323 -1.104 . . . . 0.0 111.175 166.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.36 6.25 1.85 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -65.32 127.06 30.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 119.897 1.226 . . . . 0.0 110.925 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -76.37 136.79 39.51 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.62 1.168 . . . . 0.0 112.292 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.2 mt -108.56 173.03 6.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.909 2.483 . . . . 0.0 111.853 -173.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.32 71.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -168.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -92.46 12.74 21.78 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 120.029 1.286 . . . . 0.0 113.735 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.42 -2.83 84.18 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 125.712 1.625 . . . . 0.0 115.344 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -69.14 171.29 8.55 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 119.314 1.557 . . . . 0.0 112.786 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -124.41 140.76 52.65 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.465 -0.772 . . . . 0.0 111.863 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 144.39 44.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.701 0.8 . . . . 0.0 111.681 172.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -83.64 -22.96 32.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -158.96 173.17 16.91 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.941 1.697 . . . . 0.0 111.74 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.55 -38.83 96.47 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -67.62 -37.2 82.16 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 118.643 1.222 . . . . 0.0 112.235 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.35 73.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.827 0.74 . . . . 0.0 112.843 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -30.28 70.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.087 -1.008 . . . . 0.0 113.222 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.22 -28.17 22.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.548 1.139 . . . . 0.0 112.974 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -21.8 65.26 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.45 -17.18 64.14 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.717 1.207 . . . . 0.0 113.857 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.6 mt -99.35 1.5 44.47 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -166.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -78.32 119.31 21.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.759 0.709 . . . . 0.0 109.659 166.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -90.22 -30.96 17.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.879 -1.138 . . . . 0.0 113.611 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -107.43 -3.9 19.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.196 1.798 . . . . 0.0 115.157 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.35 36.08 40.45 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 119.042 0.837 . . . . 0.0 114.86 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.1 p30 -96.29 -3.05 44.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.034 1.334 . . . . 0.0 113.51 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.252 4.0 t30 66.33 25.96 10.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 127.412 2.285 . . . . 0.0 115.098 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 pt -132.94 154.35 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.248 1.419 . . . . 0.0 111.591 167.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -100.67 119.09 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 124.425 1.09 . . . . 0.0 109.006 171.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -151.03 168.82 23.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.756 1.223 . . . . 0.0 112.087 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.25 -16.63 47.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 -167.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.65 58.56 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 171.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -69.87 146.04 51.58 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.937 1.295 . . . . 0.0 113.255 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.34 72.96 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -173.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.85 -19.86 60.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.58 -44.6 89.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -152.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 119.79 1.177 . . . . 0.0 113.8 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.4 m -76.67 -22.97 53.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 120.949 -1.094 . . . . 0.0 112.013 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.9 mt -71.96 142.35 49.41 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.0 110.753 170.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -142.25 171.59 13.85 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.223 2.209 . . . . 0.0 110.193 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.9 t -124.64 135.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.699 1.2 . . . . 0.0 110.372 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -112.19 120.61 42.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.54 1.536 . . . . 0.0 110.595 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.48 101.34 9.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.717 1.207 . . . . 0.0 109.745 173.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.25 118.18 19.5 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.674 -0.641 . . . . 0.0 112.081 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.6 mt -88.58 -22.35 23.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -114.04 -12.49 12.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 51.31 60.86 3.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.999 2.119 . . . . 0.0 113.84 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -96.23 -11.18 26.42 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.685 1.994 . . . . 0.0 114.24 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.12 11.13 83.99 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 125.164 1.364 . . . . 0.0 115.044 -170.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -128.36 142.0 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.739 2.015 . . . . 0.0 110.225 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.0 t -93.38 140.12 29.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.384 -0.822 . . . . 0.0 112.398 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -136.59 149.67 48.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 126.354 1.862 . . . . 0.0 109.802 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.67 -23.44 66.78 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -164.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -67.42 -13.55 62.13 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.173 1.389 . . . . 0.0 114.186 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -97.5 -5.39 36.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.946 1.698 . . . . 0.0 113.689 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.13 151.47 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.311 1.044 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.13 153.52 45.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.497 2.319 . . . . 0.0 110.46 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -78.53 158.78 28.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.457 1.123 . . . . 0.0 111.548 167.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -33.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.164 -0.96 . . . . 0.0 110.814 167.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.81 -40.06 63.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.977 1.311 . . . . 0.0 112.81 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -71.22 -26.15 62.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.216 -1.552 . . . . 0.0 112.791 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -80.44 -1.91 43.56 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.652 1.581 . . . . 0.0 113.477 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.54 26.81 72.89 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.368 0.985 . . . . 0.0 114.893 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.83 129.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 124.883 1.273 . . . . 0.0 108.709 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -101.19 -41.16 6.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.54 1.136 . . . . 0.0 112.237 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.3 p -157.89 160.21 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -124.08 139.33 54.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.76 1.624 . . . . 0.0 110.046 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -86.37 133.76 33.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.081 0.952 . . . . 0.0 111.159 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.44 -4.76 58.57 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.58 28.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.843 0.857 . . . . 0.0 112.494 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -145.34 166.5 25.39 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -127.08 144.07 51.12 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 128.642 2.777 . . . . 0.0 110.649 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -81.29 134.36 35.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.662 0.785 . . . . 0.0 111.312 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.61 -29.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 125.137 1.375 . . . . 0.0 113.744 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.2 m120 51.09 45.53 27.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.957 1.703 . . . . 0.0 114.002 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -103.24 128.13 50.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.657 1.983 . . . . 0.0 112.153 -163.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -79.16 124.6 28.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.353 1.461 . . . . 0.0 110.148 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.58 -24.16 12.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 116.18 157.44 11.12 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.518 1.056 . . . . 0.0 113.35 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 m120 58.82 30.61 20.29 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.423 1.889 . . . . 0.0 114.376 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.66 78.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 125.171 1.367 . . . . 0.0 116.002 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.79 144.77 40.54 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.031 1.416 . . . . 0.0 111.903 -170.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.3 m -138.87 126.58 22.06 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.95 0.9 . . . . 0.0 112.103 -169.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 35.5 tp -81.54 106.76 13.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.35 1.06 . . . . 0.0 110.18 172.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.22 -54.2 7.52 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 118.328 0.513 . . . . 0.0 111.89 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -135.65 152.54 51.32 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.558 1.143 . . . . 0.0 111.322 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -141.25 150.76 43.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.102 1.361 . . . . 0.0 112.399 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.33 -154.38 7.06 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 127.869 2.652 . . . . 0.0 110.985 168.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 49.9 m -133.66 151.88 51.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 119.082 1.441 . . . . 0.0 114.114 -176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -118.5 155.34 31.01 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.698 1.599 . . . . 0.0 110.413 171.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.2 m -116.14 134.4 54.98 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.04 1.336 . . . . 0.0 112.248 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -96.03 163.05 13.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.81 1.644 . . . . 0.0 113.102 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.8 p -60.03 -31.31 69.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.196 1.399 . . . . 0.0 113.317 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -76.54 0.12 21.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.21 -0.2 88.74 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 125.023 1.297 . . . . 0.0 116.331 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 47.5 p -78.3 163.31 25.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 119.011 1.405 . . . . 0.0 111.919 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.2 p -125.58 161.33 27.45 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.465 1.106 . . . . 0.0 112.852 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -148.0 168.16 23.03 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.758 1.223 . . . . 0.0 110.391 165.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -67.68 147.32 52.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -134.6 160.56 37.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.802 1.641 . . . . 0.0 109.072 163.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.31 172.04 42.29 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 120.995 -1.066 . . . . 0.0 115.644 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -90.08 105.35 17.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.167 1.387 . . . . 0.0 109.909 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.92 121.25 44.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 127.128 2.171 . . . . 0.0 110.312 -172.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.7 mt -75.97 128.89 36.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.504 1.122 . . . . 0.0 110.778 174.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.0 127.24 54.68 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.456 1.502 . . . . 0.0 111.619 -171.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -78.8 133.73 37.05 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -172.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -154.84 145.16 22.01 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.763 1.225 . . . . 0.0 113.81 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -102.32 155.17 18.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 127.963 2.505 . . . . 0.0 110.679 173.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -85.56 -26.47 26.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.898 0.879 . . . . 0.0 112.207 167.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.71 101.63 9.41 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.19 109.22 2.98 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.495 1.518 . . . . 0.0 109.688 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 22.4 m -143.78 162.82 35.06 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -159.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -23.14 27.48 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 58.95 -177.63 0.08 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.316 1.847 . . . . 0.0 113.856 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.55 -41.71 92.69 Favored 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 120.219 -1.551 . . . . 0.0 111.748 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 127.045 2.138 . . . . 0.0 111.781 -179.075 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo . . . . . 0 C--O 1.226 -0.123 0 N-CA-C 113.2 0.423 . . . . 0.0 113.2 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.75 136.32 56.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.884 0.874 . . . . 0.0 112.935 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.31 154.15 50.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.684 1.994 . . . . 0.0 112.065 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -116.58 141.63 47.95 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 110.594 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -77.29 105.05 8.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.506 1.122 . . . . 0.0 110.43 168.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -89.17 -41.44 12.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.081 -1.012 . . . . 0.0 113.651 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -86.23 -3.93 59.07 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 120.754 1.615 . . . . 0.0 114.143 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.92 31.34 26.55 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.551 165.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -124.15 17.06 9.18 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 119.903 1.851 . . . . 0.0 113.786 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.75 149.55 25.81 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 127.083 2.278 . . . . 0.0 113.531 -172.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 mt -69.16 131.4 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 121.879 -0.777 . . . . 0.0 109.95 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -119.39 158.53 25.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.659 1.584 . . . . 0.0 113.06 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -136.43 164.46 28.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.219 1.408 . . . . 0.0 112.397 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 m -146.55 169.81 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 C-N-CA 127.159 2.183 . . . . 0.0 111.786 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.51 156.69 36.62 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 123.568 0.747 . . . . 0.0 111.379 153.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.2 p -70.8 154.72 41.58 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.121 -0.987 . . . . 0.0 113.204 174.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 47.65 47.61 17.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.806 2.042 . . . . 0.0 115.452 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.07 -27.5 73.67 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 120.404 -1.435 . . . . 0.0 115.893 -175.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.45 -37.22 3.19 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 125.486 1.514 . . . . 0.0 112.629 176.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t 63.23 136.66 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 128.526 2.73 . . . . 0.0 116.333 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.12 -6.26 68.13 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.534 1.064 . . . . 0.0 114.192 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -153.59 133.51 13.18 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 126.503 1.921 . . . . 0.0 111.627 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.76 -6.14 39.21 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -101.92 -14.3 17.27 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.061 1.744 . . . . 0.0 112.512 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -92.14 -16.72 25.93 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.225 1.41 . . . . 0.0 114.026 -174.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 -26.93 7.68 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 173.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.12 112.08 1.41 Allowed 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.159 0.984 . . . . 0.0 111.683 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 50.87 21.53 0.97 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.323 1.849 . . . . 0.0 115.228 -173.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.12 130.86 44.7 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.154 -0.967 . . . . 0.0 111.117 -174.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.71 11.06 47.97 Favored Glycine 0 C--N 1.343 0.957 0 CA-C-O 118.834 -0.981 . . . . 0.0 114.869 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.308 10.4 pt 54.36 12.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 127.947 2.499 . . . . 0.0 116.296 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -146.75 150.12 34.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.412 1.885 . . . . 0.0 110.466 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -114.36 67.17 0.68 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.02 1.328 . . . . 0.0 109.642 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.5 -3.69 1.15 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -157.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.4 p -96.72 148.65 22.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.424 1.011 . . . . 0.0 112.482 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.76 163.42 16.15 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 125.335 1.445 . . . . 0.0 114.174 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -148.76 171.52 16.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.764 1.226 . . . . 0.0 111.637 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.7 142.63 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 121.254 -0.904 . . . . 0.0 111.294 170.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -59.83 150.06 29.45 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.542 1.137 . . . . 0.0 112.179 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.74 -19.82 66.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.47 -7.11 55.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.671 1.189 . . . . 0.0 113.759 173.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -119.51 -170.95 2.03 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 128.859 2.864 . . . . 0.0 111.77 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.01 160.46 33.95 Favored Glycine 0 N--CA 1.448 -0.538 0 O-C-N 121.155 -0.966 . . . . 0.0 115.075 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.7 mt -83.7 141.79 31.2 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.204 1.002 . . . . 0.0 111.514 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -76.8 128.35 34.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.62 -0.675 . . . . 0.0 109.545 166.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.68 162.16 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -143.65 116.64 8.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.714 1.206 . . . . 0.0 110.74 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -76.52 114.38 15.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.911 0.485 . . . . 0.0 110.306 171.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.41 -8.88 40.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 126.351 1.86 . . . . 0.0 114.347 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -126.83 -4.08 6.44 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.94 20.69 69.88 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -84.52 -0.02 51.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.05 -0.51 87.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 126.106 1.812 . . . . 0.0 115.094 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 pt -133.24 160.45 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 125.339 1.456 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.38 100.12 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.782 1.633 . . . . 0.0 108.552 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -143.6 3.26 1.28 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -167.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -119.4 150.51 40.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.898 1.679 . . . . 0.0 111.634 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.28 -30.26 70.62 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 125.073 1.321 . . . . 0.0 115.394 -171.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.34 -2.54 53.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.26 -9.34 57.85 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 124.834 1.254 . . . . 0.0 114.254 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.7 mt -97.78 151.64 19.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.631 1.572 . . . . 0.0 109.941 162.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -93.95 110.94 22.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.33 -0.857 . . . . 0.0 109.326 173.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.46 -156.44 9.93 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 124.205 0.907 . . . . 0.0 111.971 -175.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -71.37 160.11 33.36 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 122.13 0.967 . . . . 0.0 112.828 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.16 6.3 2.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 127.106 2.163 . . . . 0.0 116.131 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.0 m -62.55 129.87 42.56 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 119.849 -1.782 . . . . 0.0 109.21 160.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -84.28 142.38 30.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.109 -0.995 . . . . 0.0 111.166 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.6 mt -108.04 165.98 11.07 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 127.15 2.18 . . . . 0.0 111.986 -170.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.6 72.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -169.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -78.84 -7.26 57.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.997 1.319 . . . . 0.0 113.587 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.72 -1.74 61.82 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 126.198 1.856 . . . . 0.0 114.857 -173.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.6 m -72.38 171.4 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 119.668 1.734 . . . . 0.0 112.401 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.75 147.76 34.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.057 0.943 . . . . 0.0 111.987 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.23 134.79 50.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.172 1.389 . . . . 0.0 111.547 174.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -74.73 -31.33 61.8 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.312 1.445 . . . . 0.0 112.915 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -160.36 167.34 27.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.028 1.731 . . . . 0.0 111.632 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.11 -26.92 69.71 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 -173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.58 -37.97 74.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.982 1.391 . . . . 0.0 111.874 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.92 72.85 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 118.986 0.812 . . . . 0.0 112.611 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.26 71.84 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.4 tp -82.57 -34.8 27.61 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.191 1.396 . . . . 0.0 113.831 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.44 -20.91 61.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.79 -21.08 60.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.1 mt -94.71 3.47 55.01 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -170.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -79.25 123.62 27.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.513 1.506 . . . . 0.0 111.445 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 m -92.84 -14.54 27.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.765 2.026 . . . . 0.0 114.403 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -109.38 -21.56 12.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.22 46.5 20.94 Favored Glycine 0 C--O 1.225 -0.467 0 C-N-CA 123.921 0.772 . . . . 0.0 112.976 -172.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -124.24 1.87 8.49 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.473 1.509 . . . . 0.0 114.281 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 t30 60.02 24.92 14.12 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 127.67 2.388 . . . . 0.0 116.135 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.8 pt -134.38 157.97 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 125.523 1.529 . . . . 0.0 112.059 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.16 118.58 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.145 1.378 . . . . 0.0 110.024 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -158.98 175.52 13.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.712 1.605 . . . . 0.0 111.641 -167.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.0 -13.25 23.93 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.93 -12.48 60.97 Favored 'General case' 0 N--CA 1.445 -0.724 0 O-C-N 120.463 -1.398 . . . . 0.0 114.403 167.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -87.27 142.99 27.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.319 1.447 . . . . 0.0 114.316 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.52 78.02 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.112 1.365 . . . . 0.0 114.033 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 -16.14 44.56 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.16 -42.74 73.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -161.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -72.25 -7.75 51.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.783 -1.198 . . . . 0.0 113.894 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.8 m -96.75 -2.87 43.46 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 125.202 1.401 . . . . 0.0 113.386 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.85 147.56 41.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 119.536 1.062 . . . . 0.0 110.994 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -138.29 171.72 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.864 2.066 . . . . 0.0 110.702 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -123.82 128.7 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.321 1.448 . . . . 0.0 110.025 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -100.77 121.39 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.063 0.945 . . . . 0.0 111.601 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -115.79 99.09 7.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.703 1.601 . . . . 0.0 110.185 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -86.15 93.66 9.08 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.44 0.638 . . . . 0.0 109.62 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.4 mt -72.11 -25.86 61.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.54 1.136 . . . . 0.0 112.989 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.89 -9.62 59.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.998 1.319 . . . . 0.0 112.736 167.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 59.54 32.86 21.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.002 1.721 . . . . 0.0 113.122 169.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -88.82 -31.32 18.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 120.612 -1.305 . . . . 0.0 114.075 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.38 15.77 54.6 Favored Glycine 0 C--N 1.341 0.844 0 N-CA-C 115.414 0.926 . . . . 0.0 115.414 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -120.17 139.9 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.063 1.745 . . . . 0.0 108.229 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.8 t -94.75 132.72 39.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -165.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -117.56 147.37 42.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.485 1.914 . . . . 0.0 109.507 167.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.73 71.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -164.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -66.1 -20.85 66.29 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -79.45 -6.42 56.86 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 120.536 1.516 . . . . 0.0 113.583 -175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.58 135.9 33.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 110.741 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -107.55 150.55 26.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.236 2.614 . . . . 0.0 110.798 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -71.46 158.39 36.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.007 0.923 . . . . 0.0 111.661 161.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.89 -26.18 62.23 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.338 -0.851 . . . . 0.0 110.694 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.04 -48.57 67.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.145 1.378 . . . . 0.0 111.762 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -27.97 65.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.69 -1.256 . . . . 0.0 113.867 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -79.81 -17.14 54.05 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.171 1.388 . . . . 0.0 113.037 171.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.43 47.08 44.99 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.431 1.015 . . . . 0.0 113.411 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.14 125.44 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 127.305 2.242 . . . . 0.0 109.61 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -108.21 -47.97 3.44 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.493 1.117 . . . . 0.0 113.572 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.5 p -154.58 145.92 22.98 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.107 0.867 . . . . 0.0 112.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.93 137.34 51.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.222 1.409 . . . . 0.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -81.58 130.72 35.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.102 0.961 . . . . 0.0 111.126 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -82.53 -7.86 59.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 174.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -83.05 151.15 25.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.216 0.917 . . . . 0.0 112.335 170.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -147.72 166.79 26.41 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.56 1.144 . . . . 0.0 112.151 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -121.48 137.74 54.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.555 1.542 . . . . 0.0 109.155 162.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -75.19 136.73 41.0 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.001 0.521 . . . . 0.0 111.412 172.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.0 m -132.75 -24.65 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 46.08 46.93 12.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -87.74 123.03 32.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.061 1.344 . . . . 0.0 111.392 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -88.54 104.62 17.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.296 1.039 . . . . 0.0 109.876 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.05 10.53 37.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.442 1.497 . . . . 0.0 114.822 -168.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 74.21 175.79 33.84 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 120.664 -1.273 . . . . 0.0 113.816 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.5 m120 54.31 22.19 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.176 1.79 . . . . 0.0 115.116 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.08 13.76 68.25 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -109.85 138.13 46.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 118.914 1.357 . . . . 0.0 112.764 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.3 m -138.22 127.5 24.48 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.202 1.001 . . . . 0.0 111.005 173.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 55.3 tp -84.04 110.83 18.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 109.055 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.06 -50.59 11.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.865 0.466 . . . . 0.0 111.956 -177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.14 147.34 29.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.842 1.257 . . . . 0.0 112.411 -175.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -132.06 146.05 51.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 111.942 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.39 5.4 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 127.977 2.703 . . . . 0.0 110.965 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.5 m -133.96 163.25 29.95 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -135.07 156.47 48.98 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.84 1.656 . . . . 0.0 111.186 165.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.8 m -107.55 141.31 39.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 126.437 1.895 . . . . 0.0 110.217 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -97.5 161.29 13.85 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.084 1.754 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 51.7 p -68.04 -10.54 54.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -93.13 1.14 57.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 126.032 1.733 . . . . 0.0 114.801 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.03 -6.49 82.68 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 125.543 1.544 . . . . 0.0 116.094 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 57.0 p -77.7 166.52 22.87 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.147 1.474 . . . . 0.0 111.959 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 74.3 p -124.55 158.24 33.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.76 0.824 . . . . 0.0 113.075 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.37 163.3 36.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.252 1.421 . . . . 0.0 110.966 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -75.87 153.19 36.93 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.998 0.904 . . . . 0.0 113.345 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptm -142.45 161.39 38.17 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.93 1.692 . . . . 0.0 109.945 166.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.07 169.64 42.57 Favored Glycine 0 N--CA 1.443 -0.836 0 O-C-N 121.059 -1.026 . . . . 0.0 114.62 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -97.65 117.5 32.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.432 1.493 . . . . 0.0 110.258 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.57 128.66 54.72 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.014 0.926 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.15 116.88 21.91 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.753 1.621 . . . . 0.0 108.851 171.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 27.2 mt -112.14 128.47 56.23 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.588 1.155 . . . . 0.0 110.948 -170.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.46 119.15 11.79 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 163.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -148.06 165.23 31.42 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.532 0.682 . . . . 0.0 112.624 -167.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -100.82 144.37 29.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.652 1.181 . . . . 0.0 110.357 161.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -85.13 57.16 4.29 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.269 1.028 . . . . 0.0 111.45 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 88.7 mt -86.4 49.48 1.8 Allowed 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 126.266 1.826 . . . . 0.0 110.697 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -149.31 160.83 43.07 Favored 'General case' 0 CA--C 1.517 -0.327 0 C-N-CA 127.821 2.448 . . . . 0.0 110.034 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.9 m -77.94 144.83 36.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.047 -1.033 . . . . 0.0 113.535 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -61.05 142.89 56.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.189 0.996 . . . . 0.0 112.377 169.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -67.7 136.91 55.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.512 0.725 . . . . 0.0 111.053 168.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 95.9 mt -134.24 145.05 48.78 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.063 1.745 . . . . 0.0 110.22 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 124.989 1.316 . . . . 0.0 112.822 -177.335 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo . . . . . 0 CA--C 1.53 0.275 0 N-CA-C 114.32 0.854 . . . . 0.0 114.32 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.68 126.3 29.27 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.369 1.068 . . . . 0.0 111.527 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.89 143.15 51.19 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.02 1.728 . . . . 0.0 112.002 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -115.81 137.11 52.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.029 2.532 . . . . 0.0 110.168 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.79 111.57 19.31 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.456 1.502 . . . . 0.0 109.448 166.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.68 -27.03 21.52 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -170.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -111.76 -17.87 12.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.89 55.3 1.77 Allowed Glycine 0 C--N 1.343 0.942 0 O-C-N 120.992 -1.068 . . . . 0.0 114.719 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -144.96 25.62 1.41 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 167.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.47 175.53 45.69 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 125.429 1.49 . . . . 0.0 113.44 -176.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mt -92.59 137.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 C-N-CA 125.298 1.439 . . . . 0.0 108.865 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -120.77 151.16 39.93 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.785 1.634 . . . . 0.0 110.298 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -133.27 165.84 23.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.854 -1.154 . . . . 0.0 112.666 -173.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.72 154.9 30.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 C-N-CA 126.568 1.947 . . . . 0.0 110.645 175.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.85 -26.07 34.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -176.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p -136.34 155.24 50.34 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.291 1.836 . . . . 0.0 111.579 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -116.79 168.32 10.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.798 1.639 . . . . 0.0 111.357 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.84 156.73 43.32 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 115.625 1.01 . . . . 0.0 115.625 -167.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -138.39 -8.3 1.5 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m 49.81 47.85 22.48 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.305 1.442 . . . . 0.0 114.673 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.06 3.06 50.77 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 117.068 1.587 . . . . 0.0 117.068 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -128.84 163.49 25.1 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 119.715 1.758 . . . . 0.0 112.04 -173.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.98 128.31 35.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 167.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -158.97 147.77 18.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -172.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -139.51 147.97 42.0 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.914 1.685 . . . . 0.0 110.573 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -100.75 -101.61 0.25 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.051 1.34 . . . . 0.0 112.644 -168.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -149.15 124.18 10.04 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.128 0.971 . . . . 0.0 110.768 -167.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER 51.16 17.39 0.47 Allowed 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 129.251 3.02 . . . . 0.0 117.468 174.421 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -123.5 -8.6 8.02 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 125.359 1.463 . . . . 0.0 113.947 -166.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.64 -158.76 25.69 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 125.603 1.573 . . . . 0.0 114.465 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 pt -111.7 16.74 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 126.727 2.011 . . . . 0.0 113.463 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -154.05 150.38 28.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.942 2.097 . . . . 0.0 110.983 171.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 p -78.29 29.39 0.18 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.84 44.46 0.22 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 126.521 1.928 . . . . 0.0 112.387 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p -141.55 135.79 30.46 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.335 1.854 . . . . 0.0 111.786 -155.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.82 160.59 54.11 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 123.957 0.789 . . . . 0.0 114.67 -167.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -154.18 173.15 16.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.621 1.168 . . . . 0.0 111.974 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.78 151.5 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.97 -1.081 . . . . 0.0 112.167 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 p -64.53 158.25 24.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -14.08 39.93 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.707 -1.246 . . . . 0.0 114.269 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.27 -28.45 59.79 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.948 1.299 . . . . 0.0 113.636 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -109.11 143.61 38.25 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.602 1.561 . . . . 0.0 113.31 -168.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.32 127.32 8.86 Favored Glycine 0 C--N 1.337 0.591 0 O-C-N 121.493 -0.754 . . . . 0.0 113.91 -167.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.15 144.85 29.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.631 1.216 . . . . 0.0 111.04 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 tp -86.98 128.61 35.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 123.401 0.68 . . . . 0.0 111.484 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -143.21 164.43 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 125.088 1.355 . . . . 0.0 113.1 -176.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -152.28 113.01 4.15 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.294 1.838 . . . . 0.0 110.602 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -81.68 113.98 20.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.906 0.882 . . . . 0.0 110.816 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.6 -13.32 62.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -102.13 -9.54 20.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.848 1.659 . . . . 0.0 113.398 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.94 85.87 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.241 0.924 . . . . 0.0 115.085 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -110.01 -7.23 14.97 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 118.652 1.226 . . . . 0.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.74 39.38 Favored Glycine 0 C--N 1.341 0.821 0 C-N-CA 126.026 1.774 . . . . 0.0 115.81 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.3 mm -126.02 124.68 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 118.775 1.287 . . . . 0.0 111.503 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.84 101.56 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.278 1.831 . . . . 0.0 108.37 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.35 -15.78 2.17 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.43 154.03 22.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.965 1.306 . . . . 0.0 114.064 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.94 -18.83 34.81 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 126.22 1.867 . . . . 0.0 116.99 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.91 -9.42 58.73 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.715 1.758 . . . . 0.0 114.847 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.74 -22.12 17.16 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -160.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.78 134.54 44.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.542 1.537 . . . . 0.0 109.556 167.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.65 123.71 32.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.217 0.607 . . . . 0.0 111.426 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.18 -158.11 25.43 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 125.941 1.734 . . . . 0.0 111.97 -175.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -70.4 143.03 51.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.441 1.115 . . . . 0.0 112.557 169.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.12 20.9 8.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.151 2.18 . . . . 0.0 115.051 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.5 m -62.62 133.22 54.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.854 -1.154 . . . . 0.0 109.999 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -83.76 140.78 31.87 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.51 172.14 6.99 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 127.555 2.342 . . . . 0.0 112.774 -172.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.52 63.69 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -103.21 11.14 37.3 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.036 1.334 . . . . 0.0 112.876 171.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.04 -3.87 84.64 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 125.803 1.668 . . . . 0.0 115.523 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -67.44 154.93 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.893 1.846 . . . . 0.0 112.103 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -99.88 129.79 46.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 123.932 0.893 . . . . 0.0 111.867 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.35 135.36 44.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.448 1.099 . . . . 0.0 112.135 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -74.21 -26.1 60.06 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -174.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -155.82 169.92 23.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.361 2.264 . . . . 0.0 110.899 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.62 -29.91 76.46 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 115.579 0.992 . . . . 0.0 115.579 -172.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.79 -32.41 67.6 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 118.413 1.106 . . . . 0.0 112.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.93 69.57 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 118.549 0.613 . . . . 0.0 111.902 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.83 81.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.736 0.814 . . . . 0.0 112.989 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.2 tp -84.95 -32.63 22.94 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.431 1.093 . . . . 0.0 113.596 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -19.23 63.75 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -64.53 -18.52 64.9 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 mt -96.23 5.88 50.03 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.58 120.96 21.71 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 121.213 -0.929 . . . . 0.0 110.313 165.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -87.94 -33.47 18.45 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -109.18 -19.17 13.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.306 1.443 . . . . 0.0 114.834 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.49 71.57 1.31 Allowed Glycine 0 C--O 1.224 -0.502 0 CA-C-N 119.394 0.997 . . . . 0.0 112.729 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -132.02 4.44 4.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.542 1.537 . . . . 0.0 113.331 172.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.8 t30 61.37 22.41 12.8 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.622 2.369 . . . . 0.0 114.836 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 pt -131.74 150.24 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 124.739 1.216 . . . . 0.0 111.588 171.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.2 mm -98.12 110.45 25.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 172.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -143.28 169.14 18.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.688 1.595 . . . . 0.0 111.935 -170.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.48 -16.08 33.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -168.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.67 -14.55 58.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.18 149.85 40.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 120.196 1.362 . . . . 0.0 113.577 171.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.36 69.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.1 -17.55 32.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -54.42 -47.95 72.21 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 120.31 1.414 . . . . 0.0 113.78 -167.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.86 -11.32 60.55 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 124.135 0.974 . . . . 0.0 113.229 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.0 m -85.23 -26.42 26.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.217 1.407 . . . . 0.0 113.696 172.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.94 149.34 47.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 121.268 -0.895 . . . . 0.0 112.325 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -135.52 156.71 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.887 1.275 . . . . 0.0 111.634 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -110.97 137.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.439 1.496 . . . . 0.0 109.273 171.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -128.58 127.21 41.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.469 1.508 . . . . 0.0 113.377 -164.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -125.61 133.76 52.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.365 1.466 . . . . 0.0 112.147 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -79.21 67.24 4.88 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.648 1.113 . . . . 0.0 113.478 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.08 -36.1 76.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.345 -1.472 . . . . 0.0 112.339 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -85.3 -8.3 58.56 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.638 1.175 . . . . 0.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 55.18 56.31 6.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.745 1.618 . . . . 0.0 113.241 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -153.42 147.84 25.99 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 127.205 2.202 . . . . 0.0 111.988 172.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.08 -13.54 57.74 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 120.254 -1.529 . . . . 0.0 116.356 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -80.47 153.47 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.476 1.51 . . . . 0.0 112.563 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.49 145.94 52.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.379 1.471 . . . . 0.0 113.385 170.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -137.5 149.58 46.89 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.724 2.01 . . . . 0.0 109.269 157.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.28 97.12 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 120.195 -1.565 . . . . 0.0 114.726 -168.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -68.14 -8.12 35.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.949 1.3 . . . . 0.0 114.289 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -77.84 -13.8 59.77 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.6 154.95 19.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.184 1.394 . . . . 0.0 112.491 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -139.38 145.37 38.87 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 127.458 2.303 . . . . 0.0 110.055 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -70.1 165.68 21.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.801 0.841 . . . . 0.0 111.72 162.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 97.8 mt -74.54 -35.46 63.12 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.467 -0.771 . . . . 0.0 110.954 170.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.49 -37.82 83.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.33 -24.79 62.18 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.792 1.178 . . . . 0.0 113.231 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.7 -7.76 59.63 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.019 1.328 . . . . 0.0 113.543 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.22 36.73 59.87 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 119.194 0.906 . . . . 0.0 113.061 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.1 mt -90.63 135.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.89 1.345 . . . . 0.0 110.457 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -97.26 -45.56 6.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.929 1.691 . . . . 0.0 111.912 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.6 p -163.09 161.52 25.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.486 0.715 . . . . 0.0 112.209 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mp -114.24 138.37 50.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.055 1.342 . . . . 0.0 109.666 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -85.87 126.67 34.24 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.321 1.049 . . . . 0.0 111.182 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.74 -12.73 60.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.86 139.13 41.53 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 119.43 1.014 . . . . 0.0 112.251 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -142.85 165.92 26.06 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 124.492 1.117 . . . . 0.0 111.751 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 109.687 165.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.69 126.1 29.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 169.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.39 -31.26 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 43.84 61.74 2.19 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.439 1.895 . . . . 0.0 113.657 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -106.64 137.76 44.06 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.127 2.171 . . . . 0.0 112.531 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.56 137.62 42.5 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.988 0.915 . . . . 0.0 111.535 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.41 5.14 34.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.314 1.446 . . . . 0.0 113.532 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.91 -175.48 27.29 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 121.362 -0.836 . . . . 0.0 111.905 -155.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 54.87 18.83 2.34 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.402 1.481 . . . . 0.0 114.863 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.9 8.3 72.8 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 124.905 1.24 . . . . 0.0 115.367 -174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -102.97 155.53 18.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.274 1.537 . . . . 0.0 112.284 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 m -130.93 136.42 48.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.2 tp -89.3 108.47 19.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.035 1.334 . . . . 0.0 108.409 162.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.46 -49.5 11.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 117.863 0.302 . . . . 0.0 111.659 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -134.97 134.68 40.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.208 1.403 . . . . 0.0 110.288 -171.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -125.47 139.95 53.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.139 0.976 . . . . 0.0 111.862 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.75 -148.71 5.06 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 126.634 2.064 . . . . 0.0 112.213 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.2 p -148.38 167.59 24.85 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -130.64 161.97 30.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.988 1.315 . . . . 0.0 110.045 162.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 97.7 m -116.38 136.26 53.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.4 1.48 . . . . 0.0 110.946 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.71 156.26 16.64 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.401 1.88 . . . . 0.0 111.493 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 35.4 p -62.65 -23.4 67.07 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -73.54 4.74 4.51 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.946 1.698 . . . . 0.0 115.402 171.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.83 14.13 82.69 Favored Glycine 0 N--CA 1.446 -0.685 0 O-C-N 120.834 -1.166 . . . . 0.0 114.817 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 24.9 p -98.49 158.83 15.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.886 1.343 . . . . 0.0 112.285 173.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 m -106.64 150.8 25.85 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.762 1.225 . . . . 0.0 110.39 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -142.1 158.24 43.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 126.617 1.967 . . . . 0.0 111.469 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.87 144.22 28.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.951 -1.093 . . . . 0.0 113.317 -169.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.9 ptm -151.12 166.33 31.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.234 1.014 . . . . 0.0 112.209 163.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.02 170.86 44.03 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 123.175 0.417 . . . . 0.0 113.557 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -95.14 124.36 39.14 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.658 1.183 . . . . 0.0 110.557 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.64 150.34 26.32 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.74 1.216 . . . . 0.0 111.598 -175.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.0 mt -103.47 115.53 30.7 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.243 1.817 . . . . 0.0 106.801 166.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 84.3 mt -107.62 125.39 51.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.306 1.042 . . . . 0.0 108.659 -171.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.6 135.93 56.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 -156.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -99.58 155.4 17.61 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 126.451 1.9 . . . . 0.0 111.519 174.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -66.14 124.05 21.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.195 -0.94 . . . . 0.0 111.645 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 58.22 31.76 21.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.79 1.636 . . . . 0.0 113.811 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 58.9 tp -140.0 129.57 24.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.294 1.438 . . . . 0.0 111.284 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -69.78 139.32 53.24 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.476 1.111 . . . . 0.0 112.149 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 28.2 m -78.16 40.87 0.35 Allowed 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.637 1.975 . . . . 0.0 113.619 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . 0.33 20.5 ptt-85 49.99 -16.24 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.508 1 C-N-CA 133.873 4.869 . . . . 0.0 120.899 177.109 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -140.09 148.71 42.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 121.375 1.898 . . . . 0.0 111.916 175.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 49.6 tp -129.95 -28.51 2.18 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.186 1.794 . . . . 0.0 112.879 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.44 -0.963 0 C-N-CA 125.691 1.597 . . . . 0.0 113.241 -170.041 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo . . . . . 0 N--CA 1.48 0.694 0 N-CA-C 112.948 0.326 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.38 131.5 46.61 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.133 0.573 . . . . 0.0 112.106 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.85 147.8 50.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.49 1.916 . . . . 0.0 112.42 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.6 142.23 46.23 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 126.639 1.976 . . . . 0.0 110.162 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -88.09 108.4 19.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.217 1.407 . . . . 0.0 110.95 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.06 -35.87 15.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -172.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -95.34 -10.49 29.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 120.716 1.598 . . . . 0.0 114.661 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.54 49.88 2.87 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 115.733 1.053 . . . . 0.0 115.733 168.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -144.57 19.06 1.68 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.984 1.392 . . . . 0.0 114.028 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 170.83 45.62 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 125.67 1.605 . . . . 0.0 113.271 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.9 mm -76.47 132.84 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 121.175 -1.191 . . . . 0.0 110.82 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -119.82 144.45 47.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.014 1.726 . . . . 0.0 112.434 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -129.35 144.87 51.41 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.752 1.221 . . . . 0.0 112.015 168.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m -138.82 161.33 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 125.287 1.435 . . . . 0.0 111.495 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.8 149.13 40.94 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.235 1.014 . . . . 0.0 113.613 -174.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -74.17 134.74 42.79 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.323 1.049 . . . . 0.0 112.295 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -134.3 163.17 30.24 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.824 1.65 . . . . 0.0 111.974 -168.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.73 28.1 59.79 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.286 0.946 . . . . 0.0 114.701 174.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -128.51 133.22 48.38 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.087 1.355 . . . . 0.0 111.719 -166.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -137.64 104.19 5.25 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.284 1.434 . . . . 0.0 109.907 170.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.82 -10.43 72.17 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.804 1.192 . . . . 0.0 116.06 -169.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.2 p -52.92 -30.05 32.18 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 125.92 1.688 . . . . 0.0 114.335 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.9 tp -77.88 -19.26 55.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 125.694 1.598 . . . . 0.0 113.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -113.89 8.53 17.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.804 1.642 . . . . 0.0 113.466 -171.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.41 -20.81 61.04 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.173 1.789 . . . . 0.0 115.519 -164.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -82.93 -9.03 59.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.586 1.554 . . . . 0.0 114.987 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -81.78 129.43 34.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.983 1.265 . . . . 0.0 110.181 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -133.12 -3.06 3.14 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -120.65 -9.18 9.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.0 -179.95 52.82 Favored Glycine 0 CA--C 1.524 0.65 0 CA-C-N 119.539 1.063 . . . . 0.0 112.249 162.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tp -128.95 153.11 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 124.72 1.208 . . . . 0.0 112.062 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -147.73 175.84 10.59 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 127.695 2.398 . . . . 0.0 111.045 171.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -62.07 159.59 14.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.32 -51.62 7.27 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 121.457 -0.777 . . . . 0.0 112.701 170.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.4 p -142.54 -9.31 0.84 Allowed 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.07 140.56 3.86 Favored Glycine 0 N--CA 1.445 -0.702 0 O-C-N 120.601 -1.312 . . . . 0.0 113.817 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -118.28 172.8 7.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 127.336 2.254 . . . . 0.0 111.958 -167.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.22 125.06 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.601 1.56 . . . . 0.0 110.244 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 t -61.13 152.55 28.14 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.196 1.399 . . . . 0.0 112.177 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -10.92 12.48 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.56 -24.17 67.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 165.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -132.65 175.57 9.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.931 2.492 . . . . 0.0 112.054 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.03 151.4 23.29 Favored Glycine 0 N--CA 1.448 -0.528 0 O-C-N 121.284 -0.885 . . . . 0.0 115.111 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.39 137.16 33.55 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.2 1.4 . . . . 0.0 110.42 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.1 tp -74.9 129.35 37.52 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 123.846 0.859 . . . . 0.0 109.687 169.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 m -147.2 165.04 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 124.143 0.977 . . . . 0.0 113.541 -168.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -138.11 131.69 30.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.526 1.93 . . . . 0.0 109.381 166.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -85.03 89.58 7.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.448 -0.783 . . . . 0.0 110.093 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -77.28 0.18 23.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 125.711 1.604 . . . . 0.0 115.142 -168.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -125.17 -3.87 7.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.35 1.46 . . . . 0.0 114.613 167.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.07 18.53 76.53 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 115.765 1.066 . . . . 0.0 115.765 175.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -74.58 -3.76 32.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.499 1.65 . . . . 0.0 115.134 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 -6.69 59.1 Favored Glycine 0 C--N 1.342 0.898 0 C-N-CA 127.257 2.36 . . . . 0.0 115.398 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 pt -137.38 160.72 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 125.554 1.541 . . . . 0.0 112.562 -171.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.1 106.96 20.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 C-N-CA 124.35 1.06 . . . . 0.0 109.183 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.16 -13.66 1.83 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -169.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.62 153.82 22.34 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.693 1.197 . . . . 0.0 112.933 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.44 -30.28 75.87 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 115.898 1.119 . . . . 0.0 115.898 -176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.47 -2.36 57.14 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 119.052 1.426 . . . . 0.0 114.039 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -82.29 -23.45 35.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.601 1.091 . . . . 0.0 112.846 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.24 153.3 21.59 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 125.484 1.514 . . . . 0.0 110.065 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -85.48 115.02 22.96 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.642 -1.286 . . . . 0.0 111.199 172.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.39 -160.95 34.39 Favored Glycine 0 C--O 1.221 -0.687 0 C-N-CA 124.193 0.901 . . . . 0.0 113.902 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -71.23 -5.63 33.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -170.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -92.66 4.32 53.9 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.764 1.225 . . . . 0.0 112.54 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -92.67 141.57 28.33 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.151 1.38 . . . . 0.0 110.536 172.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.48 138.7 33.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.551 1.141 . . . . 0.0 112.636 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.36 176.88 9.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.08 2.152 . . . . 0.0 111.572 173.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.09 66.15 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -93.9 -0.19 55.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 121.111 1.778 . . . . 0.0 113.543 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.65 -4.14 68.85 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.439 1.971 . . . . 0.0 114.723 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -70.19 142.85 52.39 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 119.658 1.729 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -72.12 139.31 48.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.031 -1.043 . . . . 0.0 112.036 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.77 148.91 51.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.44 -32.49 62.65 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.405 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -159.99 165.71 31.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.097 1.359 . . . . 0.0 112.013 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.84 -32.38 79.24 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 125.906 1.717 . . . . 0.0 114.081 -174.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -70.38 -41.51 72.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.637 1.218 . . . . 0.0 111.839 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.43 86.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.113 0.869 . . . . 0.0 111.996 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.81 -35.97 81.29 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -80.77 -36.44 31.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.267 1.027 . . . . 0.0 113.028 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.56 -20.58 63.43 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.711 1.204 . . . . 0.0 114.168 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -51.81 -27.37 12.2 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.939 1.296 . . . . 0.0 113.747 168.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.6 -2.74 40.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.636 1.574 . . . . 0.0 114.422 -169.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.34 115.59 11.77 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 121.204 1.82 . . . . 0.0 110.021 168.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.9 m -80.52 -18.91 47.07 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 113.406 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.28 -21.86 11.66 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -161.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.2 39.17 37.57 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 119.097 0.862 . . . . 0.0 113.676 -169.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -116.26 6.63 13.85 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.408 1.483 . . . . 0.0 114.225 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 60.43 17.59 7.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.924 2.09 . . . . 0.0 114.573 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.7 pt -131.95 151.1 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.629 1.171 . . . . 0.0 112.808 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.33 115.85 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.695 1.598 . . . . 0.0 108.331 167.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -151.06 173.23 14.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.288 1.835 . . . . 0.0 111.255 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.69 10.79 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -175.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.1 -22.47 63.02 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 120.914 -1.116 . . . . 0.0 113.766 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -77.38 135.56 38.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.698 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.56 66.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.892 1.277 . . . . 0.0 113.704 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.34 -15.94 48.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.46 -35.31 65.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -161.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -82.25 -2.19 51.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.4 p -79.71 -23.68 42.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 120.928 -1.108 . . . . 0.0 113.858 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.03 142.45 52.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.903 1.281 . . . . 0.0 112.209 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -141.35 172.08 13.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.896 2.078 . . . . 0.0 110.441 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.74 140.3 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.12 1.768 . . . . 0.0 110.321 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -116.61 121.01 40.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.454 1.502 . . . . 0.0 110.952 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -117.06 101.92 8.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.914 1.686 . . . . 0.0 109.93 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -77.16 122.57 25.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 118.521 0.601 . . . . 0.0 111.199 -174.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.2 mt -89.08 -17.05 30.07 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -168.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -113.67 -4.42 13.44 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.525 1.53 . . . . 0.0 114.314 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 56.73 48.34 16.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.707 2.003 . . . . 0.0 113.942 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -96.16 -15.56 22.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.665 -1.272 . . . . 0.0 113.908 165.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.76 69.95 Favored Glycine 0 N--CA 1.449 -0.473 0 O-C-N 121.479 -0.763 . . . . 0.0 112.489 -173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.2 mt -121.03 116.11 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.718 1.607 . . . . 0.0 106.982 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -83.23 140.39 32.56 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -164.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -128.46 154.03 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.292 2.237 . . . . 0.0 109.852 167.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.09 72.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -67.36 -12.21 59.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -90.75 -5.93 55.05 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.322 1.449 . . . . 0.0 113.344 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.68 154.07 19.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -142.17 155.76 45.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.611 1.964 . . . . 0.0 110.944 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 59.4 p -80.05 161.56 25.32 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.456 1.502 . . . . 0.0 111.857 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.71 -35.61 72.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.015 0.526 . . . . 0.0 111.448 171.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.69 -44.52 96.04 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.235 1.014 . . . . 0.0 113.19 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.91 -16.9 62.13 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.605 -1.31 . . . . 0.0 114.246 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -94.15 -10.69 32.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.831 1.653 . . . . 0.0 113.151 173.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.8 32.68 56.77 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.2 0.905 . . . . 0.0 114.6 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.7 mt -87.1 128.13 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 124.622 1.169 . . . . 0.0 109.942 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -101.12 -46.03 5.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.154 1.381 . . . . 0.0 112.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.4 p -161.03 161.98 31.6 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.726 0.811 . . . . 0.0 112.589 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mp -119.25 138.15 53.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.934 1.693 . . . . 0.0 109.658 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.61 150.45 24.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -102.0 -3.76 27.18 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -94.23 148.3 22.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.501 1.12 . . . . 0.0 112.283 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.85 169.41 20.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -170.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -132.4 143.05 49.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.795 2.438 . . . . 0.0 110.953 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -74.99 127.86 34.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.259 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.0 p -141.96 -24.91 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 54.09 38.38 28.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 165.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -70.88 127.87 34.09 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.715 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -74.4 124.61 26.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.803 0.841 . . . . 0.0 109.262 165.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.6 mt -111.65 12.44 21.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.88 170.16 28.84 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-O 122.191 0.884 . . . . 0.0 113.921 -174.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 51.16 28.05 3.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.45 1.9 . . . . 0.0 114.512 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.85 1.84 85.11 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.476 1.512 . . . . 0.0 115.549 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -87.54 147.17 25.46 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.039 1.419 . . . . 0.0 111.733 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 61.0 m -142.0 129.51 21.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.83 1.252 . . . . 0.0 110.744 -174.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.2 tt -95.54 113.55 25.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.282 1.033 . . . . 0.0 109.331 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.53 -55.72 4.99 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.665 0.786 . . . . 0.0 112.334 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -131.69 144.79 51.26 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.181 1.393 . . . . 0.0 111.675 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.87 149.75 52.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.196 0.999 . . . . 0.0 112.566 -171.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.06 -162.09 11.49 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 126.571 2.034 . . . . 0.0 112.582 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 77.9 p -112.42 159.28 18.89 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -138.35 160.11 40.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.736 1.614 . . . . 0.0 110.602 162.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.7 m -118.92 143.69 46.86 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 125.708 1.603 . . . . 0.0 111.073 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -101.98 167.8 9.81 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.285 1.834 . . . . 0.0 112.436 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.1 p -67.19 -22.62 65.72 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -78.98 -0.05 29.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 167.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.61 87.98 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 125.617 1.579 . . . . 0.0 115.937 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 56.3 p -72.87 156.11 39.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 119.567 1.683 . . . . 0.0 112.03 172.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 20.5 p -116.95 154.45 30.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 122.069 0.938 . . . . 0.0 113.122 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.15 172.8 12.89 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.152 2.181 . . . . 0.0 110.853 -165.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -100.19 146.26 27.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.083 1.353 . . . . 0.0 113.684 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.7 ptm -146.8 163.15 36.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 125.411 1.484 . . . . 0.0 110.868 168.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.35 170.29 42.5 Favored Glycine 0 C--N 1.331 0.267 0 O-C-N 121.182 -0.949 . . . . 0.0 114.271 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -98.18 132.61 43.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.428 1.091 . . . . 0.0 111.67 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.25 136.04 50.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.202 1.001 . . . . 0.0 111.743 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 80.4 mt -84.28 109.01 17.46 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.469 1.507 . . . . 0.0 107.184 156.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 78.8 mt -89.42 140.88 29.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.802 0.841 . . . . 0.0 110.781 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -80.03 116.06 19.95 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 163.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -140.83 133.68 29.03 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -166.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -102.83 144.29 31.34 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.499 1.519 . . . . 0.0 112.146 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -94.89 -9.31 34.63 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.004 0.922 . . . . 0.0 112.598 169.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 51.0 mt -107.1 156.22 19.01 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.676 1.59 . . . . 0.0 110.713 174.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -107.27 -34.03 7.23 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 9.7 t -120.97 -30.26 4.42 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.091 1.757 . . . . 0.0 112.727 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -90.22 119.34 30.45 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.562 1.545 . . . . 0.0 111.829 -174.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -90.92 -40.12 11.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.026 1.33 . . . . 0.0 111.186 170.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 95.3 mt -132.13 149.43 52.4 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.596 2.358 . . . . 0.0 110.674 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 126.601 1.961 . . . . 0.0 113.685 -178.147 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.336 0 N-CA-C 113.262 0.447 . . . . 0.0 113.262 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.29 133.11 47.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.52 154.15 49.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.515 1.926 . . . . 0.0 112.871 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -119.87 138.33 53.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.365 1.866 . . . . 0.0 110.636 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -78.96 115.11 18.44 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.214 1.006 . . . . 0.0 110.159 167.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.17 -33.85 18.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -105.78 -16.96 14.53 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.615 1.566 . . . . 0.0 113.803 -175.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 48.33 2.91 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 120.134 1.334 . . . . 0.0 115.221 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -137.88 9.31 2.81 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 155.74 11.17 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 125.817 1.675 . . . . 0.0 113.064 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.9 mt -77.79 109.1 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.68 139.17 31.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.249 1.02 . . . . 0.0 112.386 -171.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -133.55 164.44 27.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.981 1.312 . . . . 0.0 112.928 -173.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.21 164.47 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.462 1.505 . . . . 0.0 110.508 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.13 -36.61 3.55 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.832 1.253 . . . . 0.0 113.122 169.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.6 p -65.24 156.27 32.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 172.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -129.77 142.52 50.68 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.877 1.671 . . . . 0.0 110.89 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.13 177.36 12.22 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.26 0.457 . . . . 0.0 114.07 -172.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -52.38 108.82 0.33 Allowed 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.304 1.041 . . . . 0.0 113.397 -168.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.9 m 50.71 12.88 0.11 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.457 2.303 . . . . 0.0 117.099 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.78 11.87 66.7 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 124.898 1.237 . . . . 0.0 115.514 -169.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 m -79.23 -18.38 52.97 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -162.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.34 151.16 40.14 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.856 2.062 . . . . 0.0 110.408 173.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -102.19 156.18 17.73 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 124.91 1.284 . . . . 0.0 111.472 165.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -81.76 131.79 35.27 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.672 1.189 . . . . 0.0 110.198 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -73.52 -16.66 61.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -72.99 140.09 47.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.527 1.058 . . . . 0.0 111.19 174.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -48.55 -52.17 24.04 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 126.068 1.747 . . . . 0.0 114.5 -170.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.23 18.54 12.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.852 1.261 . . . . 0.0 114.203 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.57 -176.04 50.72 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 125.142 1.353 . . . . 0.0 114.752 172.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.8 pt -62.36 133.07 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.296 1.038 . . . . 0.0 112.57 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -153.88 -18.02 0.14 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -170.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.8 p -140.03 145.21 37.46 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 124.306 1.042 . . . . 0.0 112.522 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.42 50.33 1.95 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.104 1.762 . . . . 0.0 112.798 -172.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 p -80.0 150.98 30.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.021 0.928 . . . . 0.0 111.84 176.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.67 151.0 51.24 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 116.054 1.182 . . . . 0.0 116.054 -167.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -154.04 172.37 17.59 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.627 1.171 . . . . 0.0 111.815 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.42 136.62 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 124.52 1.128 . . . . 0.0 110.052 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -58.71 153.11 17.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.849 -1.157 . . . . 0.0 111.813 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.28 -11.9 4.77 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.62 -41.84 87.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.128 1.371 . . . . 0.0 113.161 170.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -117.26 -169.93 1.75 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.073 2.149 . . . . 0.0 112.61 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.09 159.35 28.3 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -92.11 139.2 30.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 127.238 2.215 . . . . 0.0 110.162 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.6 tp -75.35 135.46 40.85 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 121.189 -0.945 . . . . 0.0 110.778 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.32 159.26 15.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 125.015 1.326 . . . . 0.0 113.368 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -145.85 131.52 18.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 126.22 1.808 . . . . 0.0 109.837 169.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.94 130.95 35.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 118.911 0.778 . . . . 0.0 112.418 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.16 -6.95 22.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.586 1.555 . . . . 0.0 114.339 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -136.84 -5.37 1.93 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.91 22.26 69.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-O 118.575 -1.125 . . . . 0.0 115.805 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -91.34 5.57 48.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.15 74.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.9 pt -129.68 144.46 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 126.458 1.903 . . . . 0.0 110.356 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -82.14 110.31 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 170.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -146.98 -20.07 0.4 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.426 1.491 . . . . 0.0 114.966 -172.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -85.55 9.04 17.08 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.759 -1.213 . . . . 0.0 114.261 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.88 -66.68 1.75 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 125.611 1.577 . . . . 0.0 114.407 173.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 7.54 0.68 Allowed 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.101 1.76 . . . . 0.0 114.817 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -72.11 -23.6 61.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 125.826 1.651 . . . . 0.0 111.633 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.62 157.41 28.7 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.539 1.936 . . . . 0.0 110.195 163.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 88.5 m-85 -96.79 106.9 19.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.844 -1.16 . . . . 0.0 111.031 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.21 -161.68 24.61 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 125.337 1.446 . . . . 0.0 113.482 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -70.01 -13.52 62.27 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -171.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.11 -8.38 56.88 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 120.834 -1.166 . . . . 0.0 113.729 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -78.02 140.82 39.17 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 120.181 1.355 . . . . 0.0 112.647 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.0 142.86 27.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.569 1.147 . . . . 0.0 112.141 167.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.27 179.38 6.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 126.772 2.029 . . . . 0.0 110.889 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.41 41.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 116.62 2.081 . . . . 0.0 116.62 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 p30 -91.58 -5.76 53.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.574 1.079 . . . . 0.0 113.856 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.35 77.48 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.159 1.361 . . . . 0.0 115.79 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.2 p -72.75 152.22 41.73 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 119.017 1.408 . . . . 0.0 111.273 167.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -77.47 145.97 36.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 120.814 -1.179 . . . . 0.0 112.341 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 152.18 43.88 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.017 1.727 . . . . 0.0 112.007 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -76.53 -39.78 51.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 123.919 0.888 . . . . 0.0 112.383 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -159.04 168.45 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.692 1.597 . . . . 0.0 112.43 -167.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.8 -31.86 81.75 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.027 1.299 . . . . 0.0 114.352 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -70.22 -32.02 69.7 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.27 1.535 . . . . 0.0 112.83 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.55 -40.5 66.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 118.723 0.692 . . . . 0.0 111.924 170.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.6 99.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.274 1.03 . . . . 0.0 112.753 176.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.61 -33.38 64.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.687 0.795 . . . . 0.0 112.716 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -21.26 65.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.97 -15.98 47.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -96.9 -5.29 38.42 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.392 1.477 . . . . 0.0 114.893 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -74.96 110.76 9.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 119.354 0.979 . . . . 0.0 110.275 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.8 p -77.75 -36.81 50.29 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -168.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -107.34 -17.6 14.09 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -168.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.13 14.31 54.67 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.4 p30 -74.86 -7.29 53.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.267 1.533 . . . . 0.0 113.379 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.279 8.6 t30 57.25 36.74 27.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.706 2.402 . . . . 0.0 115.714 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.1 pt -131.89 155.68 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.757 1.623 . . . . 0.0 110.311 160.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.7 mm -100.94 112.35 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -142.82 170.37 15.82 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.709 1.604 . . . . 0.0 111.303 -171.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.87 -15.56 55.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.73 57.54 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 120.044 1.293 . . . . 0.0 113.556 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -67.78 125.89 27.68 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 119.828 1.195 . . . . 0.0 112.131 171.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.71 69.41 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -170.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -17.45 62.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.53 -27.21 66.0 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.451 -1.405 . . . . 0.0 114.165 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -75.6 -24.65 56.56 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.749 -1.22 . . . . 0.0 113.866 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.4 m -88.3 -13.81 39.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.816 1.246 . . . . 0.0 114.021 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.57 144.24 57.35 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 119.591 1.087 . . . . 0.0 111.5 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -141.17 166.0 25.99 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 127.283 2.233 . . . . 0.0 110.128 171.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.44 124.33 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 124.525 1.13 . . . . 0.0 109.125 171.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -95.3 120.93 36.38 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.669 1.187 . . . . 0.0 110.912 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.81 97.7 6.41 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.757 1.623 . . . . 0.0 108.206 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -81.63 114.79 20.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.291 0.567 . . . . 0.0 110.298 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.05 -4.43 41.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.569 1.147 . . . . 0.0 113.463 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -113.49 -13.04 12.85 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.458 1.903 . . . . 0.0 113.106 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 52.13 23.79 2.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.159 1.784 . . . . 0.0 114.268 -159.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -81.02 -29.75 35.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.629 -1.294 . . . . 0.0 113.835 -172.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.69 20.54 47.1 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-O 118.409 -1.217 . . . . 0.0 113.941 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.15 112.07 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.787 1.635 . . . . 0.0 107.07 167.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.7 p -80.53 148.91 30.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.606 1.548 . . . . 0.0 113.708 -172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -128.39 158.25 38.78 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.835 1.654 . . . . 0.0 111.028 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.29 71.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -77.33 -8.79 58.23 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.619 1.968 . . . . 0.0 114.481 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -91.85 -19.46 22.49 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.321 1.448 . . . . 0.0 112.977 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.65 111.02 23.34 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.094 1.358 . . . . 0.0 109.461 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -108.27 157.17 18.58 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.765 2.026 . . . . 0.0 112.443 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 71.3 p -82.83 163.34 21.25 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.29 -39.27 78.42 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.304 0.642 . . . . 0.0 111.81 169.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.46 -29.39 64.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.74 -18.81 56.13 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.619 1.1 . . . . 0.0 113.346 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.2 mt -90.57 -0.07 57.54 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.367 1.467 . . . . 0.0 112.67 168.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.06 23.71 76.97 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.736 1.16 . . . . 0.0 114.414 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.4 mt -81.43 133.99 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 119.441 1.62 . . . . 0.0 110.917 -172.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -108.44 -42.09 4.67 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.436 1.494 . . . . 0.0 112.929 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.7 p -158.23 163.36 37.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 119.115 0.871 . . . . 0.0 112.718 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.66 136.24 54.02 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 125.754 1.622 . . . . 0.0 108.782 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -86.61 142.05 28.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.093 0.957 . . . . 0.0 111.267 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -94.18 -7.58 41.86 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.72 143.42 36.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.397 0.999 . . . . 0.0 111.77 170.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -150.05 169.77 20.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.553 1.141 . . . . 0.0 112.512 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -113.07 138.9 49.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.642 1.977 . . . . 0.0 108.929 164.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.16 124.92 28.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 165.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.55 -26.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 45.94 41.71 8.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.658 1.983 . . . . 0.0 114.969 170.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -75.74 128.31 34.91 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.836 1.654 . . . . 0.0 111.41 -174.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.99 144.21 48.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.67 0.788 . . . . 0.0 110.645 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 68.0 mt -115.75 4.85 14.07 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.02 1.328 . . . . 0.0 113.568 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 73.44 13.99 79.67 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 125.893 1.711 . . . . 0.0 116.649 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -141.61 2.39 1.61 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -174.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.44 31.78 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 125.691 1.615 . . . . 0.0 114.856 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -89.4 154.12 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.345 1.572 . . . . 0.0 112.053 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.5 m -134.16 129.41 35.81 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.39 1.076 . . . . 0.0 110.297 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.97 101.61 13.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.048 0.939 . . . . 0.0 109.453 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.97 -52.38 13.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.954 0.901 . . . . 0.0 112.764 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -133.82 137.3 45.0 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.925 1.69 . . . . 0.0 109.999 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -130.59 138.18 50.01 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.28 1.032 . . . . 0.0 112.581 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.43 -154.35 6.16 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 126.946 2.213 . . . . 0.0 111.324 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.1 m -131.54 161.39 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.953 0.901 . . . . 0.0 113.217 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.38 159.48 30.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.067 1.747 . . . . 0.0 109.838 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.0 m -112.42 132.71 54.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.839 1.256 . . . . 0.0 111.161 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.56 160.42 15.42 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.515 1.526 . . . . 0.0 112.115 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -63.05 -16.35 59.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -77.9 -2.28 35.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 169.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.24 -3.88 86.47 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.244 1.878 . . . . 0.0 115.256 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 18.8 m -85.97 152.5 22.88 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.52 1.528 . . . . 0.0 110.938 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.2 p -111.77 140.45 46.4 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.952 1.301 . . . . 0.0 112.943 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -131.89 161.54 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.361 1.864 . . . . 0.0 110.96 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.3 141.52 33.99 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.394 1.078 . . . . 0.0 113.144 -167.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -145.98 163.65 34.52 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.722 0.809 . . . . 0.0 111.643 167.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.97 178.79 48.91 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 121.223 -0.513 . . . . 0.0 114.258 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.48 121.16 41.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.08 1.352 . . . . 0.0 110.847 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.6 123.67 46.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.369 1.468 . . . . 0.0 111.493 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.2 mt -78.48 125.94 30.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 159.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.2 mt -91.99 140.88 29.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.511 0.724 . . . . 0.0 111.65 -169.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -56.97 156.57 6.66 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.705 1.602 . . . . 0.0 115.174 -176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -111.63 153.64 26.05 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.623 1.569 . . . . 0.0 112.001 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.09 155.34 32.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.393 1.077 . . . . 0.0 112.245 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -76.88 -15.54 59.66 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 44.7 mt 62.17 24.86 14.84 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 127.103 2.161 . . . . 0.0 115.701 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.87 139.52 37.39 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.477 1.111 . . . . 0.0 109.705 166.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 80.0 p -70.92 -33.32 70.41 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.43 -0.794 . . . . 0.0 112.863 174.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 82.4 mtm-85 57.83 22.27 8.41 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 127.158 2.183 . . . . 0.0 115.569 -168.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 61.6 -25.62 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 119.715 3.228 . . . . 0.0 119.715 167.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 86.0 mt -124.6 7.95 8.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.942 2.097 . . . . 0.0 113.934 -168.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 C--O 1.256 1.438 0 C-N-CA 127.407 2.283 . . . . 0.0 111.484 -174.2 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.286 0 CA-C-O 118.876 -0.552 . . . . 0.0 112.387 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.27 127.14 30.04 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 119.183 0.901 . . . . 0.0 112.366 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.43 149.06 52.28 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.875 2.47 . . . . 0.0 111.888 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -119.46 138.63 53.01 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.521 1.928 . . . . 0.0 110.867 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -81.39 98.86 8.4 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 109.652 166.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.85 -30.8 17.67 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -170.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -96.97 -10.88 25.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.87 44.97 3.74 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 164.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -142.95 17.62 1.95 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.29 158.61 16.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 126.93 2.205 . . . . 0.0 114.715 176.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -72.79 126.45 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -147.36 158.34 43.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.263 1.025 . . . . 0.0 113.12 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 p -143.33 165.11 28.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -111.36 151.08 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 126.024 1.73 . . . . 0.0 112.1 172.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.99 168.28 18.01 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 125.161 1.385 . . . . 0.0 113.821 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 t -148.58 1.61 0.6 Allowed 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 51.28 54.11 11.72 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.219 1.808 . . . . 0.0 112.752 -170.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.4 167.64 40.39 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 126.827 2.156 . . . . 0.0 111.125 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -135.46 -4.63 2.31 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.279 1.432 . . . . 0.0 113.746 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -61.34 124.28 20.15 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 119.176 0.898 . . . . 0.0 111.415 -172.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.18 0.43 70.72 Favored Glycine 0 C--N 1.346 1.104 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 -176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.1 t -102.68 -40.02 6.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.219 1.408 . . . . 0.0 111.385 163.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 mt -98.01 -162.13 0.93 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.76 1.624 . . . . 0.0 109.698 163.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -133.11 -52.18 0.9 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -166.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -73.82 -37.7 64.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -164.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -95.95 9.03 42.02 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.276 1.43 . . . . 0.0 113.563 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -66.48 154.21 40.87 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.599 1.16 . . . . 0.0 112.712 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -106.87 171.13 7.53 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.753 1.621 . . . . 0.0 111.725 165.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.1 156.51 17.64 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 124.334 1.054 . . . . 0.0 111.569 165.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.4 168.93 22.85 Favored Glycine 0 C--N 1.342 0.897 0 C-N-CA 125.659 1.6 . . . . 0.0 114.801 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.0 mt -65.02 137.3 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 C-N-CA 125.721 1.608 . . . . 0.0 110.781 -175.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -63.97 153.03 38.41 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 p -124.17 -11.25 7.53 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 126.609 1.964 . . . . 0.0 114.085 173.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.8 145.15 44.18 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 125.3 1.44 . . . . 0.0 109.759 161.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -127.47 116.46 20.45 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.478 0.711 . . . . 0.0 111.961 -165.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.29 135.41 13.44 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 155.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -149.7 169.1 21.8 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 117.908 0.854 . . . . 0.0 112.231 -168.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.0 153.73 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 124.544 1.138 . . . . 0.0 112.631 166.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.84 151.72 10.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.909 -0.494 . . . . 0.0 111.994 166.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.21 66.0 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.129 -0.982 . . . . 0.0 113.178 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -81.53 -2.24 49.13 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -106.98 -170.87 1.78 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.722 2.009 . . . . 0.0 111.145 166.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.82 164.91 37.71 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 115.492 0.957 . . . . 0.0 115.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.78 140.8 35.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.173 1.389 . . . . 0.0 111.033 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.25 128.63 34.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.381 0.672 . . . . 0.0 110.183 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.09 167.35 4.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 124.585 1.154 . . . . 0.0 113.567 -170.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.93 146.22 22.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.207 1.803 . . . . 0.0 111.039 166.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -77.66 130.6 37.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.431 0.692 . . . . 0.0 111.481 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.21 -7.56 18.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.022 1.729 . . . . 0.0 114.783 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.26 10.48 4.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -172.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.08 18.28 78.76 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 116.817 1.487 . . . . 0.0 116.817 170.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -99.83 -1.11 38.35 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.01 -5.22 50.55 Favored Glycine 0 C--O 1.222 -0.596 0 C-N-CA 126.48 1.991 . . . . 0.0 116.965 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 pt -123.03 165.7 18.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 C-N-CA 125.439 1.495 . . . . 0.0 111.609 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.58 120.1 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.686 1.195 . . . . 0.0 109.944 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -151.44 -20.74 0.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -97.94 148.4 23.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.85 1.205 . . . . 0.0 111.232 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.89 -28.98 69.38 Favored Glycine 0 C--N 1.339 0.728 0 O-C-N 120.705 -1.247 . . . . 0.0 115.024 -173.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.97 -8.12 59.17 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.32 -21.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.665 1.186 . . . . 0.0 113.201 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.6 mt -76.72 154.53 34.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.092 1.357 . . . . 0.0 109.611 161.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.4 m-85 -88.76 112.21 22.91 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.452 -1.405 . . . . 0.0 110.906 174.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.24 -165.74 32.97 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.937 1.256 . . . . 0.0 112.279 -175.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -78.55 17.44 0.68 Allowed 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -105.11 -10.89 16.86 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.127 1.371 . . . . 0.0 112.546 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 m -71.95 136.92 47.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.542 1.537 . . . . 0.0 110.352 169.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -88.77 144.65 26.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.611 1.164 . . . . 0.0 111.917 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.74 169.64 17.46 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.842 2.057 . . . . 0.0 109.708 164.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -24.2 66.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.72 -9.58 59.79 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.78 -7.7 63.21 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.79 1.662 . . . . 0.0 116.707 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.9 p -75.55 159.44 31.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 119.362 1.581 . . . . 0.0 112.254 168.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -78.67 148.7 33.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.591 -1.318 . . . . 0.0 112.667 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 151.11 47.45 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.681 1.193 . . . . 0.0 111.977 170.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -69.02 -35.58 76.8 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 177.62 9.31 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.357 1.863 . . . . 0.0 111.566 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.97 90.5 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 125.403 1.478 . . . . 0.0 115.472 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 119.602 1.701 . . . . 0.0 113.372 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.39 -35.45 54.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.813 -1.18 . . . . 0.0 112.402 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.4 84.25 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.757 1.223 . . . . 0.0 113.587 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.95 -33.31 45.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.956 0.902 . . . . 0.0 112.411 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -21.94 66.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -58.52 -18.91 33.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.817 1.247 . . . . 0.0 114.204 171.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.85 -2.18 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.14 118.6 19.05 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 119.936 1.244 . . . . 0.0 110.465 172.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.7 p -89.67 -25.65 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -168.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -111.11 -17.83 13.15 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.39 1.476 . . . . 0.0 113.565 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.56 27.47 38.92 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 118.997 0.817 . . . . 0.0 114.173 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -80.31 -1.04 39.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.345 1.572 . . . . 0.0 113.76 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.41 18.41 5.54 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.057 2.143 . . . . 0.0 114.316 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -130.97 152.57 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 124.721 1.208 . . . . 0.0 112.329 168.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -99.07 114.35 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 C-N-CA 124.682 1.193 . . . . 0.0 108.277 170.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -147.04 172.33 13.91 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.385 1.474 . . . . 0.0 111.446 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 -167.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.01 60.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.8 132.42 35.28 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.921 1.288 . . . . 0.0 111.783 166.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.64 67.39 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -171.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.23 -19.19 51.3 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.38 -44.18 79.93 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 120.232 1.378 . . . . 0.0 114.266 -168.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -78.9 -8.64 59.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 120.75 -1.219 . . . . 0.0 113.557 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -91.04 -25.83 19.48 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.594 1.557 . . . . 0.0 113.143 170.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.0 153.61 29.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.163 0.892 . . . . 0.0 111.253 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -134.24 163.02 30.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.581 1.552 . . . . 0.0 109.265 172.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.3 t -117.83 130.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -105.04 122.43 45.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.05 1.34 . . . . 0.0 110.266 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.86 98.26 6.73 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.151 1.38 . . . . 0.0 108.632 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.38 100.12 7.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.808 0.813 . . . . 0.0 110.043 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.99 -18.1 64.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.52 5.56 18.02 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 170.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 55.46 29.14 12.73 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 127.784 2.434 . . . . 0.0 115.652 169.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -93.74 -16.5 24.15 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 120.936 -1.103 . . . . 0.0 113.571 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.69 17.45 72.99 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.525 1.057 . . . . 0.0 114.309 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.63 129.92 57.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 118.794 1.297 . . . . 0.0 107.532 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -96.73 138.82 33.71 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.224 -0.922 . . . . 0.0 113.249 -164.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -141.2 151.2 43.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.512 1.525 . . . . 0.0 111.008 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -34.08 72.39 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -58.0 -23.58 54.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -94.22 -4.58 48.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.441 1.496 . . . . 0.0 113.127 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -98.87 151.82 20.42 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.323 1.449 . . . . 0.0 112.292 -177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.24 150.55 42.78 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 126.143 1.777 . . . . 0.0 111.39 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -77.51 156.68 30.84 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.886 1.674 . . . . 0.0 111.742 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.32 -36.73 85.07 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 121.582 -0.699 . . . . 0.0 111.925 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.99 -37.25 86.71 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.83 -30.36 70.97 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -87.43 -5.08 58.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.89 24.32 67.18 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.535 1.061 . . . . 0.0 115.102 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.36 128.66 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.745 1.218 . . . . 0.0 109.925 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.6 -47.22 7.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.467 1.507 . . . . 0.0 111.555 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 70.9 p -162.18 164.34 27.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.203 1.001 . . . . 0.0 113.039 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.58 138.06 51.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.517 1.927 . . . . 0.0 110.627 173.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.38 143.64 44.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.155 0.889 . . . . 0.0 112.469 170.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -97.91 -2.72 40.05 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.586 1.154 . . . . 0.0 113.406 162.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.78 139.73 38.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.072 0.949 . . . . 0.0 111.159 167.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -155.22 163.73 39.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.599 1.16 . . . . 0.0 112.824 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.56 140.3 47.43 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.47 2.308 . . . . 0.0 110.486 166.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -75.0 114.36 13.38 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 118.767 0.712 . . . . 0.0 110.284 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.41 -25.52 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 C-N-CA 124.5 1.12 . . . . 0.0 113.589 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.4 m120 48.86 39.65 14.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.517 1.927 . . . . 0.0 115.486 167.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -81.54 115.68 20.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.629 1.172 . . . . 0.0 110.787 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -73.37 121.55 20.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 159.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.14 -9.79 59.0 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 87.73 17.17 58.72 Favored Glycine 0 C--O 1.218 -0.874 0 C-N-CA 125.182 1.373 . . . . 0.0 114.233 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -140.87 7.24 2.05 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.36 1.464 . . . . 0.0 114.768 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.22 -26.15 19.69 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.12 1.819 . . . . 0.0 114.532 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.01 159.9 15.89 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 119.741 1.77 . . . . 0.0 112.367 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.5 m -139.34 134.01 31.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.127 -0.983 . . . . 0.0 111.627 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.7 tp -108.76 107.8 18.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.61 1.164 . . . . 0.0 109.717 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.82 -48.89 8.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.11 146.92 50.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.51 1.524 . . . . 0.0 110.708 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -138.44 135.08 34.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.64 0.776 . . . . 0.0 113.006 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.39 -148.85 5.48 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.909 2.671 . . . . 0.0 110.882 170.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.3 p -141.05 168.06 20.69 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.037 0.922 . . . . 0.0 113.303 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -135.86 159.2 42.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 126.28 1.832 . . . . 0.0 110.765 171.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.5 m -116.14 134.85 54.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -102.14 158.39 16.2 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 111.97 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.1 p -66.3 -25.78 67.01 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -82.75 24.95 0.69 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.836 1.654 . . . . 0.0 114.197 172.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.3 -8.12 54.2 Favored Glycine 0 C--N 1.341 0.852 0 N-CA-C 117.056 1.582 . . . . 0.0 117.056 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 58.8 p -83.36 155.43 23.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 119.952 1.876 . . . . 0.0 112.431 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.9 p -120.31 150.15 41.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.877 0.871 . . . . 0.0 111.481 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.72 162.37 36.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.722 1.209 . . . . 0.0 111.881 -173.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.17 140.15 37.82 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.126 0.97 . . . . 0.0 113.312 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -143.78 159.81 41.85 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.033 0.933 . . . . 0.0 111.206 166.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -173.11 168.17 41.11 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 114.257 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -88.14 104.92 17.14 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.424 1.089 . . . . 0.0 110.65 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -108.76 112.2 24.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.77 2.028 . . . . 0.0 109.035 -170.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.1 mt -81.32 124.12 29.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.978 1.311 . . . . 0.0 109.824 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 50.2 mt -98.63 131.06 45.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.694 1.597 . . . . 0.0 109.855 -166.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -76.9 145.31 38.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 121.735 -0.603 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -145.48 167.78 22.16 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.483 1.113 . . . . 0.0 111.415 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -58.62 128.89 39.43 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.675 1.19 . . . . 0.0 112.572 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -78.54 174.69 11.08 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.672 0.789 . . . . 0.0 110.183 165.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 41.2 tp -69.73 -34.07 73.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -163.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -85.92 122.76 30.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.375 0.989 . . . . 0.0 113.612 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 70.8 m 50.39 29.07 3.62 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 127.519 2.328 . . . . 0.0 117.228 169.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 61.16 -43.67 0.12 Allowed 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 130.118 3.367 . . . . 0.0 116.381 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -121.07 142.7 49.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.629 1.572 . . . . 0.0 111.692 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.56 166.16 21.18 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.293 1.437 . . . . 0.0 111.55 167.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.638 1.575 . . . . 0.0 114.352 -172.621 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo . . . . . 0 N--CA 1.472 0.21 0 N-CA-C 112.653 0.213 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.38 122.1 15.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.79 150.86 38.44 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.102 2.161 . . . . 0.0 111.158 170.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.88 138.94 51.18 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.533 1.533 . . . . 0.0 110.203 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -79.07 107.11 11.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.001 0.92 . . . . 0.0 109.555 168.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.73 -24.11 31.31 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -113.91 -8.32 13.13 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.56 40.8 4.94 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 120.256 1.389 . . . . 0.0 115.333 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -136.3 23.39 3.23 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.976 1.388 . . . . 0.0 114.409 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.4 171.68 48.36 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.504 2.002 . . . . 0.0 113.165 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -91.91 118.89 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 118.517 1.159 . . . . 0.0 109.391 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -88.5 140.28 29.62 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.331 1.052 . . . . 0.0 111.993 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.9 p -126.08 152.71 45.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.802 1.241 . . . . 0.0 112.323 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -145.37 168.45 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 C-N-CA 127.339 2.256 . . . . 0.0 111.106 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.61 153.12 40.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.105 -0.997 . . . . 0.0 111.809 167.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -129.21 156.18 44.36 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.684 1.194 . . . . 0.0 112.111 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -97.76 -8.56 28.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.62 1.968 . . . . 0.0 111.625 169.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.04 166.56 54.51 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 125.568 1.556 . . . . 0.0 113.92 173.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 51.43 32.26 8.41 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 125.686 1.594 . . . . 0.0 114.437 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -129.58 -12.27 4.39 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 127.601 2.361 . . . . 0.0 113.268 -169.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.16 15.87 3.09 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 126.323 1.916 . . . . 0.0 117.029 -167.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.6 p -135.25 -9.61 2.24 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 tp -116.06 -33.94 4.89 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 119.71 1.141 . . . . 0.0 113.334 169.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -107.59 15.31 24.87 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -68.48 -10.37 55.05 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.62 1.168 . . . . 0.0 113.021 166.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -139.99 162.87 34.16 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.417 2.287 . . . . 0.0 111.401 163.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 m120 48.09 47.97 18.7 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.475 1.51 . . . . 0.0 112.018 -176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -67.71 -10.83 55.88 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.203 1.801 . . . . 0.0 114.572 -163.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -54.71 -24.51 22.44 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.825 1.65 . . . . 0.0 112.938 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.02 -13.76 49.81 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 115.798 1.079 . . . . 0.0 115.798 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.6 mt -63.38 -24.13 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.065 1.433 . . . . 0.0 112.114 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -61.64 -18.14 58.27 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.2 p -112.81 0.09 15.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.432 1.493 . . . . 0.0 113.629 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.8 164.06 26.98 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.754 1.222 . . . . 0.0 113.029 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 m -69.75 143.51 53.01 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 121.327 -0.858 . . . . 0.0 112.138 177.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.34 -167.51 43.35 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 125.419 1.485 . . . . 0.0 115.482 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -139.24 171.71 13.89 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 126.994 2.118 . . . . 0.0 111.021 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.41 135.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.376 1.07 . . . . 0.0 110.442 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.5 t -62.29 156.28 22.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.864 1.266 . . . . 0.0 112.146 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.54 -10.49 18.32 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.981 0.913 . . . . 0.0 113.402 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.32 -24.5 67.88 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.185 1.794 . . . . 0.0 113.653 168.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -137.98 -172.51 3.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.985 2.514 . . . . 0.0 111.969 -172.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.91 161.49 32.41 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.4 140.02 32.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.195 1.798 . . . . 0.0 111.356 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -77.47 128.89 34.97 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.654 1.182 . . . . 0.0 110.545 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.5 m -147.62 167.96 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 124.882 1.273 . . . . 0.0 112.633 -170.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -159.43 135.15 8.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.991 1.316 . . . . 0.0 111.137 163.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -71.22 130.81 42.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.936 1.295 . . . . 0.0 112.176 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.54 -4.84 20.74 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 126.033 1.733 . . . . 0.0 115.149 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -137.93 20.29 2.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.12 12.99 61.39 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 118.418 -1.212 . . . . 0.0 116.067 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -85.97 1.69 49.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.151 1.475 . . . . 0.0 113.8 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.77 -1.94 87.94 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 126.187 1.851 . . . . 0.0 116.186 170.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -140.96 161.15 23.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 124.856 1.262 . . . . 0.0 112.711 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mm -92.84 107.73 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 125.377 1.471 . . . . 0.0 108.286 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -151.5 -2.01 0.32 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.88 16.41 25.21 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 121.329 1.877 . . . . 0.0 115.066 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.05 -37.8 1.75 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 126.32 1.914 . . . . 0.0 116.882 165.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.86 5.75 50.66 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.412 1.885 . . . . 0.0 114.151 172.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.11 -3.28 54.45 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.932 1.293 . . . . 0.0 114.313 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -125.84 149.85 48.31 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 128.173 2.589 . . . . 0.0 110.176 171.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -84.96 110.94 19.25 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.244 1.018 . . . . 0.0 113.263 -161.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.24 -158.53 20.01 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.763 1.173 . . . . 0.0 113.074 -174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.53 -16.66 61.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -87.32 -2.16 58.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.992 -1.067 . . . . 0.0 112.867 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.3 m -85.41 137.3 33.02 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 125.297 1.439 . . . . 0.0 110.89 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.77 152.0 23.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.908 0.883 . . . . 0.0 113.32 171.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.2 mt -92.62 174.85 7.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.446 2.299 . . . . 0.0 111.036 171.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.37 67.26 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -89.14 -5.58 57.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.816 1.189 . . . . 0.0 113.967 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.47 60.44 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 126.646 2.07 . . . . 0.0 115.969 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -65.72 152.63 43.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.097 1.449 . . . . 0.0 111.318 170.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -78.29 144.64 35.95 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 120.011 1.278 . . . . 0.0 112.212 173.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.71 150.24 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 111.28 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.57 -46.25 73.23 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.662 -0.649 . . . . 0.0 112.327 173.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.54 ' CG ' HE22 ' A' ' 149' ' ' GLN . 14.7 p80 -157.6 170.12 23.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.81 1.244 . . . . 0.0 112.304 -164.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.02 74.37 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 115.555 0.982 . . . . 0.0 115.555 -173.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -70.11 -44.79 68.25 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 118.011 0.906 . . . . 0.0 112.461 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.89 85.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.176 0.59 . . . . 0.0 111.915 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.39 98.74 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 124.238 1.015 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -77.67 -35.5 52.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.911 -1.118 . . . . 0.0 113.132 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.49 -16.42 55.49 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -60.95 -22.15 64.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.202 1.401 . . . . 0.0 114.041 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 mt -94.91 -0.7 53.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -76.76 120.34 21.78 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.895 0.855 . . . . 0.0 111.652 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 m -66.65 -37.69 85.33 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.756 1.223 . . . . 0.0 113.588 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -112.85 -16.54 12.71 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.78 45.44 17.05 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 119.461 1.028 . . . . 0.0 112.645 -171.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -111.17 9.6 21.87 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 126.058 1.743 . . . . 0.0 113.392 -171.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 68.65 15.29 9.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.101 2.16 . . . . 0.0 115.856 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.4 pt -135.59 151.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.2 mm -106.3 116.91 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 C-N-CA 124.74 1.216 . . . . 0.0 108.116 159.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -144.33 -172.81 3.86 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.974 1.31 . . . . 0.0 111.352 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.79 -13.11 3.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.8 -27.81 58.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 120.828 1.649 . . . . 0.0 113.753 169.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.66 136.08 36.72 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.28 1.032 . . . . 0.0 111.993 175.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.86 88.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.764 -1.21 . . . . 0.0 112.155 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.334 1.054 . . . . 0.0 113.75 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.25 -28.97 56.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 120.042 1.292 . . . . 0.0 113.066 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -81.7 -27.38 33.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.1 p -103.43 -15.9 15.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.565 1.546 . . . . 0.0 114.625 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.21 146.82 52.57 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.089 1.356 . . . . 0.0 111.74 171.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -137.42 169.1 18.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.535 1.934 . . . . 0.0 110.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.0 t -122.99 132.56 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 125.048 1.339 . . . . 0.0 109.252 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -107.13 126.89 52.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.931 1.292 . . . . 0.0 111.64 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -115.1 103.83 11.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.406 1.483 . . . . 0.0 109.267 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -75.87 82.09 2.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.954 0.797 . . . . 0.0 111.263 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -24.01 63.09 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -161.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -112.13 -7.26 14.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.22 1.808 . . . . 0.0 113.834 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.273 21.4 mp0 47.41 60.37 3.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.463 1.905 . . . . 0.0 114.441 -168.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -92.95 -10.17 37.36 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.536 1.134 . . . . 0.0 113.143 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.76 17.84 76.99 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 124.907 1.241 . . . . 0.0 115.114 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.12 129.2 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.477 1.911 . . . . 0.0 108.308 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -85.02 135.33 34.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.139 0.976 . . . . 0.0 111.181 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -125.32 147.8 48.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.832 1.653 . . . . 0.0 108.936 169.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.46 -30.24 68.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -56.14 -30.1 61.67 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.879 1.672 . . . . 0.0 113.392 171.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -88.05 -3.29 58.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.999 1.32 . . . . 0.0 114.327 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.16 150.86 21.2 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 124.501 1.12 . . . . 0.0 110.954 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -136.43 150.3 48.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.822 2.049 . . . . 0.0 110.798 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.1 p -72.18 160.82 31.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.513 1.525 . . . . 0.0 111.702 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.75 -34.74 76.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.354 -0.842 . . . . 0.0 111.124 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.51 -41.98 88.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -175.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -75.54 -18.35 59.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.4 6.32 27.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.74 1.216 . . . . 0.0 112.505 167.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 63.71 23.58 67.29 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 123.989 0.804 . . . . 0.0 114.077 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.81 134.72 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 118.688 1.244 . . . . 0.0 109.191 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -106.17 -47.83 3.73 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.272 1.429 . . . . 0.0 111.734 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.0 p -155.26 154.26 31.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.993 -1.067 . . . . 0.0 112.341 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.76 134.49 53.29 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.989 1.315 . . . . 0.0 108.938 166.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -83.3 146.84 28.3 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 171.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.92 -2.71 31.21 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.308 1.043 . . . . 0.0 113.76 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.42 138.47 35.56 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.763 1.225 . . . . 0.0 111.909 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -150.11 163.71 37.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.221 1.008 . . . . 0.0 112.48 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -123.13 143.01 50.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.898 1.679 . . . . 0.0 110.73 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.21 121.61 18.69 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.965 164.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.25 -21.95 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 C-N-CA 125.365 1.466 . . . . 0.0 114.484 -175.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.8 m120 49.08 36.76 9.3 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 126.184 1.793 . . . . 0.0 115.43 169.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -79.02 139.05 38.27 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.516 1.127 . . . . 0.0 112.099 -172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.44 128.61 34.79 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.985 0.514 . . . . 0.0 109.879 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.98 -27.74 13.73 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 117.03 156.68 10.59 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 125.253 1.406 . . . . 0.0 112.026 -166.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.8 m120 54.29 24.87 5.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.794 2.037 . . . . 0.0 113.438 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.79 20.05 73.92 Favored Glycine 0 CA--C 1.528 0.871 0 O-C-N 120.912 -1.117 . . . . 0.0 115.277 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -91.16 124.95 35.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 117.941 0.87 . . . . 0.0 109.819 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -103.84 134.14 47.63 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.033 0.933 . . . . 0.0 110.699 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.07 94.07 9.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.767 1.227 . . . . 0.0 107.955 165.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.56 67.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 123.226 0.61 . . . . 0.0 112.147 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.54 HE22 ' CG ' ' A' ' 76' ' ' HIS . 29.5 mt-30 -133.76 138.88 46.0 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.747 1.619 . . . . 0.0 110.48 -173.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -131.64 145.68 51.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.89 1.276 . . . . 0.0 113.249 -169.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.81 -157.04 8.29 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 126.854 2.169 . . . . 0.0 112.558 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 m -133.6 162.64 31.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.751 1.62 . . . . 0.0 114.135 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -137.33 157.75 45.94 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.455 1.902 . . . . 0.0 111.005 169.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.5 m -110.61 140.65 44.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.807 1.643 . . . . 0.0 111.567 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -102.57 159.74 15.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.383 1.873 . . . . 0.0 112.897 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.2 p -66.58 -19.36 65.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.502 1.521 . . . . 0.0 113.938 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -78.35 0.93 23.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.204 1.402 . . . . 0.0 114.444 169.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.04 -5.33 84.38 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.745 1.641 . . . . 0.0 115.237 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 31.1 p -77.55 165.72 23.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 119.534 1.667 . . . . 0.0 112.177 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 60.0 p -127.22 153.53 45.98 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.15 0.98 . . . . 0.0 111.403 173.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.92 164.7 31.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.026 0.931 . . . . 0.0 110.88 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -75.59 153.93 37.03 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 122.612 1.196 . . . . 0.0 113.242 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.1 ptm -147.71 166.57 27.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.945 1.298 . . . . 0.0 109.831 166.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.19 172.61 41.93 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 121.369 -0.832 . . . . 0.0 114.795 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -82.38 105.85 13.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.203 1.001 . . . . 0.0 109.922 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.2 123.6 48.29 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.895 2.078 . . . . 0.0 109.584 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.87 134.13 35.1 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 112.342 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.9 mt -114.16 152.67 30.82 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.725 2.01 . . . . 0.0 114.632 -163.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -56.37 147.59 21.01 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.173 1.389 . . . . 0.0 113.921 170.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -143.59 146.1 33.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.829 1.252 . . . . 0.0 111.918 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -76.69 159.26 30.35 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 123.983 0.913 . . . . 0.0 112.781 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -86.5 -39.06 16.64 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -169.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 46.3 mt -106.77 165.76 11.08 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.153 1.381 . . . . 0.0 112.358 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.2 121.59 14.05 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.606 1.162 . . . . 0.0 111.318 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 13.6 m -64.78 -17.65 64.38 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -122.92 36.53 4.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.6 1.56 . . . . 0.0 113.124 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -58.1 -30.47 66.29 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 120.825 -1.172 . . . . 0.0 114.141 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 71.3 mt -108.45 -32.29 7.48 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.353 1.461 . . . . 0.0 113.067 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.259 1.573 0 C-N-CA 124.963 1.305 . . . . 0.0 113.156 -176.86 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 8.7 Cg_exo . . . . . 0 CA--C 1.517 -0.352 0 N-CA-C 112.514 0.159 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.89 125.85 27.23 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 121.505 -0.747 . . . . 0.0 112.637 -174.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.19 144.26 49.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 127.634 2.374 . . . . 0.0 110.756 174.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -116.23 138.3 51.41 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.047 1.739 . . . . 0.0 110.967 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -79.22 114.02 17.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.801 1.24 . . . . 0.0 110.349 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.87 -27.33 22.27 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -168.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -110.91 -5.83 14.81 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.26 33.56 11.7 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-O 118.37 -1.239 . . . . 0.0 115.246 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -123.54 16.9 9.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 120.29 2.045 . . . . 0.0 114.75 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.4 158.07 28.91 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 125.896 1.713 . . . . 0.0 113.501 -172.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.76 122.24 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 124.148 0.979 . . . . 0.0 108.584 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -100.61 149.56 23.62 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.964 1.306 . . . . 0.0 111.886 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 p -134.89 166.92 21.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.121 1.368 . . . . 0.0 112.221 -173.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m -130.75 143.77 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 C-N-CA 125.762 1.625 . . . . 0.0 109.63 169.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.65 156.2 20.1 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.137 1.375 . . . . 0.0 113.987 -165.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.7 m -65.99 112.22 3.72 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.622 1.169 . . . . 0.0 111.221 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -150.26 151.7 33.38 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 126.288 1.835 . . . . 0.0 112.242 -169.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.12 -162.18 49.66 Favored Glycine 0 C--O 1.217 -0.92 0 C-N-CA 124.888 1.233 . . . . 0.0 116.044 168.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -131.58 132.01 43.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 126.483 1.913 . . . . 0.0 110.959 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -88.57 -29.1 20.28 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.557 1.143 . . . . 0.0 113.604 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.64 25.79 57.86 Favored Glycine 0 C--N 1.341 0.836 0 O-C-N 121.63 -0.668 . . . . 0.0 114.556 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -61.6 156.26 20.27 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.336 1.054 . . . . 0.0 112.613 176.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.6 -24.63 15.45 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.856 1.263 . . . . 0.0 113.22 -172.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -139.0 148.59 43.65 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 126.692 1.997 . . . . 0.0 110.492 176.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.2 p30 -80.01 -11.43 59.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -71.04 141.77 50.9 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 126.518 1.927 . . . . 0.0 111.46 161.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -95.65 147.39 23.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.455 1.102 . . . . 0.0 112.215 -175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.91 7.53 5.59 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.63 1.972 . . . . 0.0 115.572 -176.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.37 -35.79 0.12 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.18 25.81 65.46 Favored Glycine 0 C--N 1.34 0.803 0 CA-C-O 117.801 -1.555 . . . . 0.0 114.901 -175.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.3 pt -130.27 -34.37 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -60.82 141.61 56.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 120.938 1.699 . . . . 0.0 112.323 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -132.85 143.43 49.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.67 1.123 . . . . 0.0 113.512 -172.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.93 67.75 8.05 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.507 1.123 . . . . 0.0 110.767 162.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 m 66.63 -21.18 0.1 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 117.468 2.396 . . . . 0.0 117.468 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.01 99.99 0.67 Allowed Glycine 0 C--N 1.333 0.409 0 CA-C-N 121.537 1.971 . . . . 0.0 112.578 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -157.28 174.58 15.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.102 1.361 . . . . 0.0 113.29 -164.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.95 141.5 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.742 1.217 . . . . 0.0 109.913 165.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -60.97 153.8 24.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.072 -1.017 . . . . 0.0 112.073 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.81 16.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 169.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.88 -31.67 72.75 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.799 1.24 . . . . 0.0 113.071 172.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -122.05 -170.65 2.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.012 2.125 . . . . 0.0 111.673 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.66 161.51 32.3 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 115.836 1.094 . . . . 0.0 115.836 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.44 138.04 31.89 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.891 1.676 . . . . 0.0 111.304 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.57 129.08 37.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.859 0.864 . . . . 0.0 110.157 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -143.8 167.63 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 124.572 1.149 . . . . 0.0 112.909 -174.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -145.76 130.91 18.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 126.622 1.969 . . . . 0.0 111.218 171.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -79.74 115.04 19.11 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.31 0.644 . . . . 0.0 111.596 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -89.94 -0.31 57.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 114.823 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -139.3 3.08 2.12 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 17.44 77.05 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -83.76 -3.78 58.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 118.956 1.378 . . . . 0.0 114.589 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.8 4.96 90.31 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-O 118.069 -1.406 . . . . 0.0 115.634 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.1 pt -132.44 164.23 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 125.833 1.653 . . . . 0.0 112.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -97.8 119.71 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 124.65 1.18 . . . . 0.0 109.524 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -132.24 -1.67 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -172.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.23 150.27 35.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.622 1.169 . . . . 0.0 112.086 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.26 -18.45 49.43 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.787 1.184 . . . . 0.0 114.776 175.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -19.21 65.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.996 1.719 . . . . 0.0 114.727 170.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -93.85 -10.55 33.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.964 1.705 . . . . 0.0 113.177 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.95 165.12 22.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.11 1.764 . . . . 0.0 110.609 164.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 59.8 m-85 -100.12 105.23 16.83 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.618 -0.676 . . . . 0.0 110.159 163.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.28 -162.61 27.38 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 125.377 1.465 . . . . 0.0 113.697 -169.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -75.48 10.83 1.47 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -124.38 2.89 8.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.562 1.545 . . . . 0.0 113.571 170.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -76.07 152.04 36.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 120.459 -1.401 . . . . 0.0 111.204 167.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -94.66 161.22 14.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.36 179.21 4.33 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 128.876 2.87 . . . . 0.0 110.609 174.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.66 -29.39 69.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -89.26 7.89 33.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 119.278 0.944 . . . . 0.0 112.79 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.84 86.65 Favored Glycine 0 N--CA 1.443 -0.892 0 O-C-N 120.622 -1.299 . . . . 0.0 115.704 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.97 150.05 48.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 119.385 1.592 . . . . 0.0 110.309 167.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -78.71 142.88 36.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.489 -0.757 . . . . 0.0 110.401 171.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.52 149.97 47.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.76 0.824 . . . . 0.0 112.006 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -81.97 -26.94 33.51 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.411 ' CG ' HE21 ' A' ' 149' ' ' GLN . 12.6 p80 -154.06 167.38 30.01 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.258 1.423 . . . . 0.0 112.415 178.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.36 -29.52 74.31 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.234 -0.916 . . . . 0.0 115.355 -168.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -74.61 -37.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 118.703 1.252 . . . . 0.0 112.012 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.08 82.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.81 0.732 . . . . 0.0 112.514 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.43 97.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.428 1.091 . . . . 0.0 112.899 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.6 tp -76.25 -37.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.88 -19.61 65.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -172.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.73 -23.38 66.73 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.307 1.443 . . . . 0.0 113.466 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.6 mt -85.29 -3.05 58.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -174.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -68.15 119.51 12.85 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 121.068 -1.02 . . . . 0.0 110.203 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.0 p -81.09 -37.08 29.56 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.764 1.226 . . . . 0.0 114.1 -171.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -110.54 -21.11 12.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.05 1.74 . . . . 0.0 113.691 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.39 67.42 1.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 O-C-N 121.331 -0.856 . . . . 0.0 112.464 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -122.53 -2.14 8.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.65 1.58 . . . . 0.0 113.437 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.16 25.03 10.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.869 2.068 . . . . 0.0 114.998 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -132.47 147.14 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 124.785 1.234 . . . . 0.0 111.158 166.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm -98.16 110.51 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -142.48 169.66 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 126.623 1.969 . . . . 0.0 110.89 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.71 -16.1 24.62 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -166.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.36 -21.65 49.13 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.81 1.186 . . . . 0.0 114.108 171.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.98 125.58 27.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 120.159 1.345 . . . . 0.0 111.334 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.07 73.48 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.28 -18.04 62.44 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.47 -34.7 62.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 119.188 0.904 . . . . 0.0 112.366 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.65 -20.42 65.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.702 1.201 . . . . 0.0 113.746 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 m -98.84 -6.21 29.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.118 1.367 . . . . 0.0 114.09 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.38 136.63 44.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.804 -1.185 . . . . 0.0 111.427 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -139.24 171.9 13.61 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.049 1.739 . . . . 0.0 110.56 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -118.89 131.8 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 124.034 0.934 . . . . 0.0 110.141 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -100.55 120.8 40.57 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.366 1.467 . . . . 0.0 110.451 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -112.97 98.35 7.12 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.628 1.171 . . . . 0.0 108.581 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -73.29 112.96 9.84 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.969 0.804 . . . . 0.0 109.742 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.4 mt -80.18 -7.08 58.78 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -170.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -114.36 -10.9 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 52.65 54.07 11.18 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.061 1.745 . . . . 0.0 112.766 -170.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -108.74 -15.56 14.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.686 1.194 . . . . 0.0 112.836 171.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.15 78.89 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 120.881 -1.137 . . . . 0.0 112.887 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.78 112.72 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 126.147 1.779 . . . . 0.0 106.394 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.16 146.36 27.15 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.058 -1.027 . . . . 0.0 113.23 -167.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -132.19 151.47 51.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.123 1.769 . . . . 0.0 109.171 169.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.56 71.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.497 -1.377 . . . . 0.0 114.067 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -63.01 -19.71 64.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.34 -10.16 59.19 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.079 1.352 . . . . 0.0 113.046 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.78 142.15 29.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.503 0.721 . . . . 0.0 111.592 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -137.03 150.63 48.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.771 2.028 . . . . 0.0 111.244 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.2 p -77.59 164.95 24.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.787 1.235 . . . . 0.0 112.167 174.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.48 -48.07 68.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.155 -0.966 . . . . 0.0 112.312 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.49 -33.63 74.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.69 0.796 . . . . 0.0 113.035 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.73 -20.64 63.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 119.499 1.045 . . . . 0.0 113.279 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.8 mt -97.58 2.85 50.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.433 1.893 . . . . 0.0 113.493 171.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.91 17.6 80.18 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 124.825 1.202 . . . . 0.0 115.674 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 33.6 mt -84.25 137.49 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 119.497 1.649 . . . . 0.0 109.777 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -127.01 -42.01 1.76 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 p -159.48 154.77 25.37 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 120.5 1.5 . . . . 0.0 112.084 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -109.47 133.36 53.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.574 1.149 . . . . 0.0 111.427 -174.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -93.14 118.58 31.38 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.829 1.252 . . . . 0.0 111.589 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.67 28.87 0.74 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -106.01 115.14 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.814 1.646 . . . . 0.0 109.753 167.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.98 147.59 34.12 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.864 1.266 . . . . 0.0 112.846 -168.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -111.89 135.22 52.81 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.679 1.992 . . . . 0.0 110.573 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.51 126.28 29.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.454 1.502 . . . . 0.0 110.739 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.42 -30.41 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 -172.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 44.22 50.14 7.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.886 2.075 . . . . 0.0 115.684 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -89.12 143.94 26.49 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.265 1.826 . . . . 0.0 112.793 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.0 138.55 38.88 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.572 -0.705 . . . . 0.0 111.034 161.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 81.1 mt -119.07 -4.81 10.55 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.657 1.583 . . . . 0.0 114.24 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 158.55 178.37 32.51 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 111.838 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -65.74 110.35 2.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 117.98 0.89 . . . . 0.0 110.427 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.75 7.78 88.06 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.42 124.16 49.97 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 120.08 1.94 . . . . 0.0 111.68 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -132.81 136.06 46.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.226 1.01 . . . . 0.0 110.64 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.25 105.95 15.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.488 1.515 . . . . 0.0 109.351 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.43 -47.59 26.62 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.904 0.882 . . . . 0.0 112.317 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.411 HE21 ' CG ' ' A' ' 76' ' ' HIS . 36.7 mt-30 -138.41 154.42 48.9 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.398 1.479 . . . . 0.0 111.175 -174.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -143.18 144.19 32.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -161.94 -151.73 6.43 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 126.945 2.212 . . . . 0.0 112.716 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 30.8 m -141.36 171.14 14.48 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.941 1.696 . . . . 0.0 112.611 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -135.36 160.35 38.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.273 1.829 . . . . 0.0 111.566 170.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 54.7 m -94.68 136.24 35.21 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 125.69 1.596 . . . . 0.0 111.202 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -95.96 156.18 16.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 126.407 1.883 . . . . 0.0 112.948 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.9 p -61.51 -22.76 65.41 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.164 1.386 . . . . 0.0 113.906 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -88.54 8.4 28.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.85 0.86 90.48 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 116.767 1.467 . . . . 0.0 116.767 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.4 p -90.64 -179.59 5.58 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 118.642 1.221 . . . . 0.0 112.301 172.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 77.1 p -122.79 159.54 27.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.519 1.128 . . . . 0.0 111.952 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.64 163.96 33.23 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.558 1.543 . . . . 0.0 110.692 170.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.57 154.96 36.44 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -150.81 168.68 23.7 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.06 1.344 . . . . 0.0 111.591 167.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.0 171.19 43.67 Favored Glycine 0 N--CA 1.446 -0.663 0 O-C-N 121.255 -0.903 . . . . 0.0 115.154 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -89.92 104.66 17.2 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 125.866 1.666 . . . . 0.0 109.638 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.8 tt -115.73 124.63 51.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 110.151 -169.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 31.1 mt -81.24 135.41 35.73 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.079 1.352 . . . . 0.0 112.008 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 48.9 mt -109.6 146.79 34.13 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.82 1.648 . . . . 0.0 111.316 -169.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -86.72 159.66 19.09 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -89.36 166.31 13.82 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 124.233 1.013 . . . . 0.0 113.327 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.65 159.62 27.94 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.881 1.673 . . . . 0.0 112.738 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -127.54 136.89 52.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -170.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 pp -124.0 -11.7 7.56 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.524 1.529 . . . . 0.0 114.896 166.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -81.86 98.39 8.49 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 118.983 0.81 . . . . 0.0 109.589 172.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.1 t -72.11 138.19 47.57 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.738 0.78 . . . . 0.0 113.023 -167.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 58.51 14.66 3.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 128.564 2.745 . . . . 0.0 115.291 -170.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -68.2 -33.99 75.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 119.426 1.012 . . . . 0.0 111.976 171.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 82.5 mt -88.74 23.45 2.3 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.973 1.309 . . . . 0.0 112.956 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--O 1.25 1.081 0 C-N-CA 127.091 2.156 . . . . 0.0 112.565 178.368 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 112.699 0.23 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.23 121.34 13.46 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.179 0.991 . . . . 0.0 112.831 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.0 148.51 32.39 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.724 2.41 . . . . 0.0 111.659 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -119.42 134.75 55.07 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.154 1.782 . . . . 0.0 109.721 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.16 106.1 10.96 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 125.652 1.581 . . . . 0.0 109.541 167.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.1 -31.62 19.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.808 -1.183 . . . . 0.0 113.077 -166.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -98.02 -2.42 40.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.95 1.3 . . . . 0.0 114.349 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.16 43.69 7.4 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 115.874 1.11 . . . . 0.0 115.874 164.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -138.19 13.75 2.83 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.23 149.18 19.72 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 126.763 2.125 . . . . 0.0 113.117 -176.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.71 123.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.023 0.929 . . . . 0.0 109.286 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -108.24 152.85 24.04 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 112.821 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 p -135.44 157.99 45.51 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.246 1.418 . . . . 0.0 112.422 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.15 147.17 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 C-N-CA 125.515 1.526 . . . . 0.0 111.866 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.14 136.49 56.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.49 0.716 . . . . 0.0 111.402 167.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.0 m -71.14 131.21 43.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 123.449 0.7 . . . . 0.0 110.458 176.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -139.43 -44.2 0.45 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 126.639 1.976 . . . . 0.0 111.802 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.58 36.96 2.25 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 125.894 1.711 . . . . 0.0 114.751 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -57.56 137.46 56.31 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 118.703 1.251 . . . . 0.0 112.758 -170.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.8 p -129.27 -20.82 3.31 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.51 -139.67 33.94 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 118.675 0.671 . . . . 0.0 114.208 173.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 m -68.68 120.32 14.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.639 0.775 . . . . 0.0 111.882 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.7 mt -124.82 -9.41 7.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.363 1.465 . . . . 0.0 113.382 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -132.35 151.01 52.04 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.915 1.686 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.21 -19.02 41.84 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -169.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -97.71 -1.92 42.42 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.874 1.269 . . . . 0.0 114.28 176.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -73.2 149.84 42.56 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 120.181 -1.574 . . . . 0.0 111.387 167.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -131.94 153.89 49.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.029 1.732 . . . . 0.0 111.328 171.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -90.29 151.55 21.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.226 1.011 . . . . 0.0 111.559 170.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.98 -173.06 18.62 Favored Glycine 0 C--N 1.342 0.895 0 C-N-CA 126.094 1.807 . . . . 0.0 113.88 -174.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.2 pt -77.41 -14.72 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -169.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -141.79 156.67 45.56 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 126.228 1.811 . . . . 0.0 112.042 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.7 p -142.58 155.81 45.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.024 1.33 . . . . 0.0 112.187 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.44 142.03 57.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.655 1.182 . . . . 0.0 113.78 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 p -123.15 -12.78 7.86 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.35 1.46 . . . . 0.0 113.19 174.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.06 126.61 1.62 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 124.61 1.1 . . . . 0.0 112.126 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -141.79 170.2 16.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.144 1.378 . . . . 0.0 112.837 -166.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.7 133.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.976 1.31 . . . . 0.0 111.235 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -59.65 156.33 13.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.745 1.618 . . . . 0.0 114.034 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -16.14 64.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -80.46 -18.81 47.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.265 1.426 . . . . 0.0 113.272 172.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -116.86 -178.82 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 111.87 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.99 175.88 37.62 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 116.208 1.243 . . . . 0.0 116.208 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.0 140.16 48.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.879 2.072 . . . . 0.0 112.135 -177.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 tp -80.77 129.36 34.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.93 0.892 . . . . 0.0 111.281 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -145.91 168.52 7.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 124.932 1.293 . . . . 0.0 112.761 -172.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -154.07 127.11 8.34 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.579 1.551 . . . . 0.0 111.358 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -76.7 116.45 17.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.058 0.543 . . . . 0.0 110.359 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.98 2.7 46.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.951 1.701 . . . . 0.0 113.83 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.92 -5.28 3.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.92 9.23 86.54 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -73.84 -5.08 38.78 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 120.21 2.005 . . . . 0.0 114.886 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.05 -6.87 72.93 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 126.305 1.907 . . . . 0.0 115.101 176.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 pt -132.2 167.16 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.807 1.643 . . . . 0.0 113.37 -173.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.2 mm -104.83 98.52 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.532 2.333 . . . . 0.0 109.092 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -133.88 -20.18 1.99 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -168.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -98.41 149.56 22.54 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 126.146 1.778 . . . . 0.0 111.74 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.02 -21.61 63.87 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 116.159 1.223 . . . . 0.0 116.159 -172.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.53 -9.28 59.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.751 1.22 . . . . 0.0 114.267 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -86.78 -4.25 59.15 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.795 1.238 . . . . 0.0 114.128 -170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.16 152.67 26.77 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.897 1.679 . . . . 0.0 109.385 164.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.35 106.98 18.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.689 -0.632 . . . . 0.0 111.415 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.09 -177.11 43.01 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.434 1.492 . . . . 0.0 111.726 -173.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -63.96 -10.85 23.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -169.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.47 -3.74 48.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.779 -1.826 . . . . 0.0 113.779 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -78.13 145.92 35.43 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.79 1.636 . . . . 0.0 111.811 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -99.43 140.88 32.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.153 1.381 . . . . 0.0 112.413 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.05 169.22 10.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.482 2.313 . . . . 0.0 111.567 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.3 66.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -170.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -84.69 5.16 29.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 120.085 1.311 . . . . 0.0 114.099 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.89 -3.29 82.83 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 125.862 1.696 . . . . 0.0 115.17 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -68.35 152.02 46.04 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.07 1.435 . . . . 0.0 111.4 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.83 144.97 28.09 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.452 -0.78 . . . . 0.0 112.172 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.48 142.64 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.562 1.145 . . . . 0.0 111.121 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -81.92 -25.34 35.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.55 170.4 22.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.435 1.894 . . . . 0.0 111.905 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.51 -24.75 66.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.273 0.939 . . . . 0.0 115.243 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.4 -46.6 66.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 119.005 1.403 . . . . 0.0 112.25 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.09 76.28 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 123.225 0.61 . . . . 0.0 112.567 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.72 96.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.907 0.883 . . . . 0.0 113.14 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 tp -76.67 -35.89 57.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.776 1.231 . . . . 0.0 113.12 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.56 65.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -61.38 -16.47 46.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.703 1.201 . . . . 0.0 113.694 172.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -95.91 -0.3 51.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -72.32 119.08 16.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 119.963 1.256 . . . . 0.0 109.731 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 m -88.64 -27.21 21.44 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -170.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -112.4 -10.37 13.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.34 18.07 59.57 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -79.41 -0.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 119.185 1.493 . . . . 0.0 113.968 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.268 27.8 t30 68.71 20.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.797 2.039 . . . . 0.0 115.723 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.87 150.63 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 C-N-CA 124.965 1.306 . . . . 0.0 111.971 168.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.1 113.44 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 124.748 1.219 . . . . 0.0 108.449 170.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -145.39 171.89 13.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.575 1.55 . . . . 0.0 111.43 -174.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.97 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -20.03 59.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.796 1.18 . . . . 0.0 113.997 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -72.81 142.3 48.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 120.222 1.374 . . . . 0.0 112.867 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.8 91.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -165.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.4 -17.62 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -53.9 -44.72 70.74 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -160.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -70.2 -19.42 63.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m -89.79 -12.21 39.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.708 1.603 . . . . 0.0 113.342 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.01 152.57 45.55 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 124.237 1.015 . . . . 0.0 111.413 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -140.63 165.66 26.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.817 1.647 . . . . 0.0 110.836 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.72 131.14 70.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.974 1.31 . . . . 0.0 108.811 169.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -100.87 123.55 45.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.644 1.578 . . . . 0.0 110.818 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -117.54 98.57 6.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.698 1.199 . . . . 0.0 108.284 169.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.25 118.73 15.5 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 122.047 -0.408 . . . . 0.0 110.484 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.51 -9.89 59.6 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -170.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -111.57 -3.73 15.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.392 1.477 . . . . 0.0 111.812 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 53.03 37.78 25.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.574 1.55 . . . . 0.0 112.732 -174.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -108.14 0.83 21.82 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.77 26.02 73.04 Favored Glycine 0 C--O 1.227 -0.319 0 O-C-N 120.929 -1.107 . . . . 0.0 114.975 169.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.8 mt -126.96 115.89 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.2 p -86.01 150.53 24.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -163.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -131.3 155.49 47.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.174 168.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.47 67.16 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -74.93 -10.26 59.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.17 -4.92 45.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.985 1.714 . . . . 0.0 113.695 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -97.2 149.82 21.59 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.539 1.136 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -138.45 152.88 48.72 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 127.854 2.461 . . . . 0.0 111.448 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.5 p -75.12 163.76 27.22 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 124.293 1.037 . . . . 0.0 111.979 169.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.73 -35.86 70.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.004 -1.06 . . . . 0.0 111.227 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.84 -38.14 82.8 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -73.44 -11.65 60.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.02 4.52 42.46 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 113.118 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.74 20.0 78.38 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 124.889 1.233 . . . . 0.0 115.045 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.6 mt -79.69 128.58 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 120.017 1.909 . . . . 0.0 109.799 -174.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -96.6 -50.76 4.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.067 1.347 . . . . 0.0 112.365 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.9 p -160.32 157.52 28.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.59 -0.694 . . . . 0.0 112.859 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.35 133.13 53.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.686 1.194 . . . . 0.0 109.246 172.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -86.65 126.91 34.85 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.014 1.326 . . . . 0.0 110.518 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.28 -2.89 54.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.86 129.52 34.84 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.884 1.22 . . . . 0.0 112.091 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -138.27 166.4 24.28 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 125.396 1.478 . . . . 0.0 113.183 -170.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -134.48 145.62 48.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.306 1.842 . . . . 0.0 111.491 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.53 137.18 37.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.263 0.625 . . . . 0.0 111.265 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.5 m -129.59 -38.61 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 124.35 1.06 . . . . 0.0 113.182 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 46.01 48.39 12.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.507 1.523 . . . . 0.0 112.952 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -102.36 125.48 49.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.213 2.605 . . . . 0.0 112.266 -162.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.93 121.79 19.69 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.221 1.009 . . . . 0.0 111.348 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.37 -1.89 52.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.336 1.454 . . . . 0.0 113.7 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.75 174.21 35.93 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 124.688 1.137 . . . . 0.0 113.026 -167.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . 0.261 0.6 OUTLIER 50.1 18.05 0.36 Allowed 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.49 2.316 . . . . 0.0 116.222 -177.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.17 5.0 70.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.621 1.582 . . . . 0.0 116.33 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -97.32 153.82 17.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.499 2.149 . . . . 0.0 112.044 172.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.2 m -141.49 142.89 33.59 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.439 1.496 . . . . 0.0 110.211 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 16.2 tp -100.39 123.29 44.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.156 1.382 . . . . 0.0 109.825 172.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.35 -56.64 3.23 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.603 0.638 . . . . 0.0 112.482 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -128.11 142.94 51.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 126.54 1.936 . . . . 0.0 108.805 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -130.32 150.93 51.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.02 1.328 . . . . 0.0 112.461 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.83 -152.82 6.42 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 128.048 2.737 . . . . 0.0 110.569 170.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.5 p -136.35 161.49 35.66 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -121.84 155.59 35.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.796 1.638 . . . . 0.0 110.41 169.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 99.1 m -104.6 139.91 38.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.561 1.544 . . . . 0.0 111.191 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.97 158.55 15.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.243 2.217 . . . . 0.0 111.876 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.3 p -69.19 -15.61 63.43 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -80.22 0.07 34.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 166.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.82 -11.09 71.6 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 126.286 1.898 . . . . 0.0 115.489 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 39.8 p -79.43 171.26 15.41 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.253 1.527 . . . . 0.0 112.913 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 33.0 p -130.35 155.44 46.36 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.521 1.128 . . . . 0.0 113.428 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.65 165.46 27.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.31 1.844 . . . . 0.0 111.051 169.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -72.91 153.01 41.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 120.849 -1.157 . . . . 0.0 114.114 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.9 ptm -145.88 161.11 40.76 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.527 1.531 . . . . 0.0 109.979 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.05 168.32 40.11 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 121.561 -0.712 . . . . 0.0 114.477 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -83.01 111.07 18.52 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 123.868 0.867 . . . . 0.0 109.65 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.1 tt -112.1 126.82 55.59 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.148 1.779 . . . . 0.0 110.842 -170.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.7 mt -83.21 119.36 24.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.523 1.129 . . . . 0.0 111.107 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.8 mt -86.46 135.87 33.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.379 1.872 . . . . 0.0 111.14 -173.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -97.63 136.01 38.62 Favored 'General case' 0 CA--C 1.514 -0.407 0 O-C-N 121.451 -0.781 . . . . 0.0 112.282 -175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -154.54 134.89 13.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.216 1.407 . . . . 0.0 112.615 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -102.01 141.65 34.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.702 1.601 . . . . 0.0 111.243 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -69.74 143.65 52.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.377 -0.827 . . . . 0.0 111.007 169.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 70.9 mt -80.81 5.49 15.8 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.043 1.337 . . . . 0.0 114.39 -175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -80.25 150.1 30.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.618 1.167 . . . . 0.0 112.961 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 19.1 t -84.75 148.48 26.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.81 152.27 48.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.953 2.101 . . . . 0.0 110.584 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -118.55 125.44 49.85 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.398 1.879 . . . . 0.0 109.849 170.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 89.3 mt -138.86 157.26 46.37 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.353 1.461 . . . . 0.0 112.063 -172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--O 1.245 0.861 0 C-N-CA 127.586 2.354 . . . . 0.0 111.894 -173.805 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_exo . . . . . 0 N--CA 1.473 0.273 0 N-CA-C 113.216 0.429 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.77 120.7 15.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.85 145.29 43.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.504 2.322 . . . . 0.0 112.233 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mp -119.91 136.88 54.34 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.107 1.763 . . . . 0.0 111.576 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.03 112.98 21.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.633 1.173 . . . . 0.0 110.291 174.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.7 mt -90.12 -35.4 15.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -111.52 17.53 19.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.535 1.934 . . . . 0.0 114.794 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.46 -4.24 69.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 163.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -99.66 18.74 17.32 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.794 2.038 . . . . 0.0 113.713 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.35 164.1 39.93 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 125.757 1.646 . . . . 0.0 113.369 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.98 120.0 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 O-C-N 121.627 -0.925 . . . . 0.0 109.575 -176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -102.12 150.35 23.35 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.982 1.713 . . . . 0.0 112.317 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.6 p -132.32 160.87 34.99 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.594 1.558 . . . . 0.0 113.404 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.74 156.92 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 126.016 1.726 . . . . 0.0 111.665 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.62 159.91 29.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.991 0.917 . . . . 0.0 112.265 166.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 p -99.12 144.04 28.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -175.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -95.78 -169.28 1.92 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.406 2.283 . . . . 0.0 109.827 170.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.39 50.15 5.52 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 124.835 1.207 . . . . 0.0 112.361 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -64.03 -34.21 77.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.054 1.342 . . . . 0.0 113.78 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -136.11 13.96 3.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.705 1.602 . . . . 0.0 113.792 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.75 -117.54 0.77 Allowed Glycine 0 CA--C 1.522 0.492 0 C-N-CA 125.906 1.717 . . . . 0.0 110.879 -168.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -126.69 -15.26 5.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.0 mt -93.65 158.33 15.74 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.424 1.09 . . . . 0.0 112.535 -172.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -117.76 131.05 56.64 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.886 1.674 . . . . 0.0 112.498 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -160.54 105.39 1.44 Allowed 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 125.523 1.529 . . . . 0.0 109.718 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -64.61 -7.81 11.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.193 -1.567 . . . . 0.0 114.826 -174.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -87.9 -13.12 42.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 125.406 1.482 . . . . 0.0 114.235 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -152.75 -47.61 0.1 Allowed 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -167.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.9 63.44 1.53 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 128.122 2.569 . . . . 0.0 110.697 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.46 -143.34 2.75 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.361 0.981 . . . . 0.0 114.902 -171.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -86.6 138.47 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 124.654 1.182 . . . . 0.0 109.735 177.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -79.57 126.05 30.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.35 -0.844 . . . . 0.0 109.638 172.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.0 p -86.69 -3.51 59.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 116.96 2.208 . . . . 0.0 116.96 -147.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.68 -43.75 1.85 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.012 1.325 . . . . 0.0 113.765 173.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -61.67 128.92 38.58 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.377 1.071 . . . . 0.0 112.522 -172.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.82 160.11 22.73 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 125.343 1.449 . . . . 0.0 113.864 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -149.87 172.57 14.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.373 1.069 . . . . 0.0 112.42 -172.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -73.8 134.32 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 124.592 1.157 . . . . 0.0 110.522 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 t -63.21 156.18 26.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.863 1.265 . . . . 0.0 112.23 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -11.29 19.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.9 -35.06 75.68 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 166.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -127.11 -176.79 3.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 128.891 2.876 . . . . 0.0 111.205 -167.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.86 169.17 34.04 Favored Glycine 0 C--N 1.339 0.717 0 O-C-N 121.005 -1.059 . . . . 0.0 115.111 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -102.66 141.32 35.67 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.702 1.601 . . . . 0.0 111.511 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.7 129.28 35.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.012 0.925 . . . . 0.0 111.504 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.37 163.97 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 124.968 1.307 . . . . 0.0 112.778 -170.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -154.89 120.81 5.17 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.848 1.659 . . . . 0.0 110.005 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.64 117.66 20.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.12 -21.6 64.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.496 -0.753 . . . . 0.0 112.065 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -94.2 -8.51 39.1 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.92 14.18 72.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -84.42 -20.07 32.45 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 119.683 1.742 . . . . 0.0 112.874 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.13 23.25 35.4 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.804 1.193 . . . . 0.0 113.99 -169.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.46 118.78 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.908 1.283 . . . . 0.0 110.669 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.6 mm -98.52 111.32 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 127.472 2.309 . . . . 0.0 108.216 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -144.09 -9.91 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -114.04 153.21 29.8 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.66 1.184 . . . . 0.0 111.394 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.35 -17.96 62.49 Favored Glycine 0 C--N 1.342 0.886 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.41 -11.57 60.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.164 -1.198 . . . . 0.0 113.916 168.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -105.38 -7.2 18.94 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.405 1.482 . . . . 0.0 113.78 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 tp -131.41 111.15 11.57 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.159 2.183 . . . . 0.0 108.788 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -66.1 112.75 4.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.306 0.642 . . . . 0.0 112.509 -167.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.32 -167.79 36.73 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 126.144 1.83 . . . . 0.0 112.485 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -72.2 9.71 0.93 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.48 -2.32 17.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.106 -1.621 . . . . 0.0 113.475 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -79.19 150.4 31.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.305 1.442 . . . . 0.0 111.527 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -101.11 138.5 38.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.495 1.118 . . . . 0.0 113.882 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.0 mt -80.76 170.82 15.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.819 2.048 . . . . 0.0 111.128 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.98 65.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -170.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -95.39 2.87 54.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 120.111 1.323 . . . . 0.0 113.36 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.55 79.57 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 125.268 1.413 . . . . 0.0 115.423 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 m -66.07 142.85 57.65 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.93 1.365 . . . . 0.0 110.938 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -73.09 142.98 47.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.551 -0.718 . . . . 0.0 111.451 170.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.53 149.3 47.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.917 0.865 . . . . 0.0 111.741 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.66 -35.15 65.21 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.806 0.842 . . . . 0.0 112.676 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -161.96 167.23 24.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.174 1.79 . . . . 0.0 112.312 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.96 94.94 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 125.054 1.311 . . . . 0.0 115.711 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -67.36 -41.23 85.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.983 1.891 . . . . 0.0 111.818 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.91 82.28 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.97 74.9 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.939 1.295 . . . . 0.0 113.374 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -31.42 25.7 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.443 1.097 . . . . 0.0 113.21 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -21.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -174.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.61 -20.8 65.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.681 -1.262 . . . . 0.0 113.049 172.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.76 -6.54 59.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.697 1.199 . . . . 0.0 112.806 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.66 104.61 11.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 120.086 1.312 . . . . 0.0 109.978 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.3 m -86.31 -17.65 34.02 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -168.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -109.86 -12.86 14.54 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.169 0.988 . . . . 0.0 113.209 173.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.32 57.33 4.74 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 119.35 0.977 . . . . 0.0 112.465 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 p30 -112.96 -1.98 14.39 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.596 1.558 . . . . 0.0 113.094 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.271 15.1 t-20 67.22 31.95 6.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 125.947 1.699 . . . . 0.0 114.806 -175.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.6 pt -139.14 152.59 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 125.942 1.697 . . . . 0.0 112.131 163.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mm -101.41 116.19 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.45 1.1 . . . . 0.0 108.089 167.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -147.82 168.28 22.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.418 1.487 . . . . 0.0 112.365 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.74 -25.64 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.65 63.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.06 135.61 51.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.827 1.194 . . . . 0.0 112.037 172.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -16.1 60.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.84 -36.11 74.02 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -73.49 -18.97 61.05 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 121.378 -0.826 . . . . 0.0 113.175 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -91.57 -15.91 27.94 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.773 1.629 . . . . 0.0 115.107 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.66 146.21 55.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.897 0.879 . . . . 0.0 112.456 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -141.66 168.09 20.59 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.553 1.941 . . . . 0.0 111.139 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.24 131.64 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 124.996 1.319 . . . . 0.0 109.388 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -99.97 129.25 46.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.358 1.063 . . . . 0.0 111.211 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.82 100.89 7.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.196 1.798 . . . . 0.0 109.07 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -72.21 92.22 1.35 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.162 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 -22.47 66.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -167.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -115.65 10.1 15.43 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 171.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 58.37 29.07 17.66 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 117.943 2.572 . . . . 0.0 117.943 170.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -101.56 -8.05 22.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 119.84 -1.787 . . . . 0.0 115.788 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.57 6.75 88.22 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 124.467 1.032 . . . . 0.0 115.049 -177.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.4 131.08 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 125.009 1.323 . . . . 0.0 107.84 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -86.59 145.43 26.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.312 0.96 . . . . 0.0 113.434 -176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -143.42 149.98 38.41 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 126.363 1.865 . . . . 0.0 110.598 171.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.51 72.66 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -62.06 -19.8 63.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.662 1.585 . . . . 0.0 114.074 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -97.33 -5.39 36.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.537 1.535 . . . . 0.0 113.072 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.8 mt -90.19 155.97 18.65 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 124.413 1.085 . . . . 0.0 111.615 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -139.8 151.02 45.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.364 1.866 . . . . 0.0 111.103 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.7 p -72.71 164.95 25.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.808 1.243 . . . . 0.0 112.449 167.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.19 -42.68 79.57 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.347 -0.845 . . . . 0.0 111.53 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.99 -42.26 99.8 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.351 0.66 . . . . 0.0 112.454 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.92 -14.25 61.43 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.3 mt -97.25 1.25 49.42 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.921 1.689 . . . . 0.0 113.665 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 25.81 62.5 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.285 1.421 . . . . 0.0 114.704 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 59.9 mt -98.25 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 125.645 1.578 . . . . 0.0 110.517 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -119.82 -43.34 2.57 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.965 1.706 . . . . 0.0 113.849 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 84.1 p -155.41 159.4 39.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.453 -1.404 . . . . 0.0 113.096 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.12 134.59 54.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.76 1.224 . . . . 0.0 109.822 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -81.87 132.16 35.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.285 0.493 . . . . 0.0 110.758 172.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -92.27 -0.65 57.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.276 -0.89 . . . . 0.0 113.305 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.52 141.33 30.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.532 1.133 . . . . 0.0 111.625 166.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -144.94 171.37 14.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.018 1.327 . . . . 0.0 111.916 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -128.58 142.24 51.11 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.363 1.065 . . . . 0.0 109.599 163.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -76.76 127.69 33.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 123.825 0.85 . . . . 0.0 111.07 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.2 -20.62 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.739 1.616 . . . . 0.0 114.859 -169.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 47.7 41.79 14.36 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.459 1.904 . . . . 0.0 114.952 172.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.29 115.16 15.76 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 111.982 -173.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -64.08 122.73 17.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.807 0.843 . . . . 0.0 110.103 171.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.23 14.25 22.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.641 1.577 . . . . 0.0 112.528 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.3 165.74 32.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 125.394 1.473 . . . . 0.0 114.394 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 56.73 16.1 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.6 0.48 52.97 Favored Glycine 0 C--N 1.34 0.766 0 C-N-CA 125.561 1.553 . . . . 0.0 115.066 -176.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.46 135.88 35.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.914 1.357 . . . . 0.0 111.819 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.5 m -138.33 126.04 22.26 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.927 1.291 . . . . 0.0 111.62 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.27 104.53 12.65 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.872 -1.143 . . . . 0.0 109.342 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.62 20.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.673 0.789 . . . . 0.0 112.424 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -128.71 136.5 50.68 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.374 1.87 . . . . 0.0 110.25 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -127.62 141.7 51.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 125.274 1.43 . . . . 0.0 112.267 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.78 -155.0 7.0 Favored Glycine 0 C--N 1.338 0.671 0 C-N-CA 126.916 2.198 . . . . 0.0 111.573 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 99.5 p -130.11 163.05 27.43 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -121.36 160.52 23.86 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.657 1.583 . . . . 0.0 110.039 161.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.9 m -110.74 138.92 46.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.659 1.183 . . . . 0.0 110.127 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.31 167.84 13.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.312 1.845 . . . . 0.0 112.976 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 11.2 p -57.38 -24.84 57.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.278 1.431 . . . . 0.0 113.576 171.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -95.6 13.84 24.91 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 113.655 173.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 76.25 -9.82 18.46 Favored Glycine 0 C--N 1.338 0.642 0 O-C-N 120.666 -1.271 . . . . 0.0 116.132 174.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.8 p -70.39 159.89 33.34 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.128 1.371 . . . . 0.0 112.274 170.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.9 p -115.41 153.1 31.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.54 163.12 35.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.737 2.015 . . . . 0.0 111.675 -174.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.75 145.05 34.65 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.4 ptm -149.8 166.64 28.84 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 164.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.56 173.16 45.03 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -86.81 104.41 16.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 110.376 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 45.4 tp -93.42 116.61 29.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.427 1.491 . . . . 0.0 110.649 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 68.1 mt -74.97 124.54 27.13 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 57.4 mt -97.62 141.21 30.94 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.547 1.139 . . . . 0.0 111.433 -169.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.85 137.29 57.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -125.17 154.88 40.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -161.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -56.82 138.01 54.03 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.578 1.151 . . . . 0.0 113.14 -174.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 59.25 -18.08 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 129.803 3.241 . . . . 0.0 117.433 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 61.8 tp -86.98 -40.63 14.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.037 1.735 . . . . 0.0 113.363 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -110.11 38.17 2.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.515 1.126 . . . . 0.0 112.513 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 11.5 m -66.16 122.53 17.65 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.533 -1.355 . . . . 0.0 111.419 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -140.92 -19.89 0.81 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.669 1.588 . . . . 0.0 114.928 -175.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -80.76 113.27 18.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 119.826 1.194 . . . . 0.0 110.685 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 47.8 tp -158.52 102.58 1.73 Allowed 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.746 1.618 . . . . 0.0 110.168 -171.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--O 1.247 0.958 0 C-N-CA 124.492 1.117 . . . . 0.0 113.94 -168.113 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.482 0 N-CA-C 113.428 0.511 . . . . 0.0 113.428 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.86 130.1 43.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.49 144.96 50.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.646 2.378 . . . . 0.0 111.273 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.45 134.28 55.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.339 1.456 . . . . 0.0 110.453 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -81.46 112.25 18.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.355 0.662 . . . . 0.0 109.305 165.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 mt -90.82 -42.13 10.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -90.36 9.29 29.52 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.49 38.07 29.46 Favored Glycine 0 CA--C 1.523 0.59 0 O-C-N 120.809 -1.182 . . . . 0.0 115.577 161.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -137.92 13.17 2.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.48 1.112 . . . . 0.0 113.549 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.81 159.02 30.55 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 126.456 1.979 . . . . 0.0 114.081 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.86 130.66 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 O-C-N 121.473 -1.016 . . . . 0.0 108.932 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -118.72 141.5 48.56 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.084 0.954 . . . . 0.0 112.777 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -136.65 138.22 40.88 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.244 1.017 . . . . 0.0 113.309 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -145.94 170.34 5.57 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 126.33 1.852 . . . . 0.0 110.633 -169.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.78 133.11 44.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.793 -0.567 . . . . 0.0 111.223 163.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 p -122.36 159.13 28.13 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 127.079 2.152 . . . . 0.0 111.285 172.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -81.57 42.05 0.67 Allowed 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.024 1.73 . . . . 0.0 113.319 -169.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.79 176.34 53.85 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 125.168 1.366 . . . . 0.0 114.3 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -80.16 138.59 36.91 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 124.972 1.309 . . . . 0.0 110.727 163.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -157.73 144.78 18.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.503 1.121 . . . . 0.0 109.85 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.24 -22.77 70.02 Favored Glycine 0 C--N 1.339 0.704 0 O-C-N 121.118 -0.989 . . . . 0.0 113.93 172.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -70.75 -3.83 20.73 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.859 1.664 . . . . 0.0 115.356 -174.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt -141.38 144.54 34.57 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.861 2.065 . . . . 0.0 111.122 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -131.9 -13.28 3.23 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 125.642 1.577 . . . . 0.0 115.142 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -138.83 38.52 2.18 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.99 1.716 . . . . 0.0 112.324 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -61.65 157.56 17.34 Favored 'General case' 0 CA--C 1.515 -0.389 0 O-C-N 120.336 -1.477 . . . . 0.0 112.311 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -70.84 -25.03 62.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.091 1.357 . . . . 0.0 114.301 -171.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -73.25 162.11 29.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -165.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.12 141.6 43.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.686 1.194 . . . . 0.0 113.235 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.2 -132.57 11.17 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 125.985 1.755 . . . . 0.0 113.247 -175.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.9 pt -74.15 145.75 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 117.892 0.846 . . . . 0.0 109.837 163.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -88.79 56.86 3.91 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.756 -1.215 . . . . 0.0 112.495 -169.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -142.55 157.81 44.33 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.222 1.009 . . . . 0.0 111.355 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.62 167.99 23.16 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.396 1.079 . . . . 0.0 111.523 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.4 p -131.22 138.71 49.48 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.431 1.892 . . . . 0.0 112.112 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.04 122.23 6.49 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 168.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -152.46 172.98 15.7 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.049 0.94 . . . . 0.0 111.202 -172.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.76 146.47 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 123.028 1.394 . . . . 0.0 113.077 175.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -56.92 154.37 9.58 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 126.612 1.965 . . . . 0.0 111.976 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.12 -18.24 65.22 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.27 -19.0 54.57 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -110.32 -176.73 3.06 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.309 1.844 . . . . 0.0 112.174 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.56 166.11 37.11 Favored Glycine 0 CA--C 1.519 0.301 0 O-C-N 121.135 -0.978 . . . . 0.0 114.474 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.1 mt -97.93 140.8 31.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.644 1.177 . . . . 0.0 111.27 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.34 129.15 36.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.99 0.516 . . . . 0.0 109.661 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.3 m -145.12 165.2 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.347 1.459 . . . . 0.0 111.883 -173.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -146.45 130.89 17.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.007 0.923 . . . . 0.0 109.958 159.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.69 115.65 9.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.9 -14.54 50.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -170.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -130.37 5.99 4.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.4 23.57 73.5 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-O 118.921 -0.933 . . . . 0.0 115.342 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -85.88 -1.02 56.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.227 1.411 . . . . 0.0 114.522 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.9 11.56 83.7 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 125.033 1.302 . . . . 0.0 115.306 175.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.42 155.0 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.285 1.834 . . . . 0.0 112.097 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.99 112.39 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 125.751 1.62 . . . . 0.0 107.735 167.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -133.72 -2.43 2.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -139.02 146.84 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.868 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.49 -26.84 64.99 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.62 1.105 . . . . 0.0 115.614 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.39 -2.72 56.45 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.304 1.552 . . . . 0.0 114.631 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.76 -20.11 50.7 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.971 1.26 . . . . 0.0 112.413 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.54 163.14 23.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.335 2.254 . . . . 0.0 110.052 167.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 63.8 m-85 -99.78 106.77 18.69 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 121.356 -0.84 . . . . 0.0 110.514 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.31 -159.3 22.19 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.572 1.082 . . . . 0.0 112.946 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -75.84 6.8 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -94.71 -8.17 38.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.372 1.469 . . . . 0.0 112.98 166.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.8 m -77.51 136.93 38.37 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 119.758 1.163 . . . . 0.0 111.342 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -104.35 133.81 48.62 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.45 1.5 . . . . 0.0 110.529 173.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.2 mt -94.54 170.1 9.71 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.467 1.907 . . . . 0.0 112.216 -171.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.87 -22.95 65.09 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.523 -1.361 . . . . 0.0 114.5 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -78.9 2.02 21.58 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.26 -3.76 85.3 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 126.316 1.913 . . . . 0.0 115.051 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -84.75 157.6 20.98 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 120.373 2.086 . . . . 0.0 113.404 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -83.42 139.5 32.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.869 -1.145 . . . . 0.0 111.779 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.09 58.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.827 1.251 . . . . 0.0 112.907 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -72.06 -32.43 67.07 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.135 -0.978 . . . . 0.0 113.513 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.88 170.47 22.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.192 1.797 . . . . 0.0 111.853 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.34 -24.72 65.91 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.999 1.285 . . . . 0.0 115.011 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -70.65 -44.09 67.84 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 118.383 1.092 . . . . 0.0 111.84 173.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.56 72.73 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 118.97 0.804 . . . . 0.0 112.478 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.65 -51.54 64.73 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.377 0.671 . . . . 0.0 112.234 170.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.2 tp -72.08 -32.76 67.34 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 121.045 -1.035 . . . . 0.0 113.256 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.1 61.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.81 -20.8 64.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.007 -1.058 . . . . 0.0 112.953 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.6 mt -96.62 1.26 51.0 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -164.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -73.75 124.02 25.23 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.728 1.149 . . . . 0.0 111.867 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.9 p -89.61 -13.7 36.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.514 1.525 . . . . 0.0 114.716 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -110.54 -22.42 11.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -168.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.73 30.16 66.53 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 119.033 0.833 . . . . 0.0 113.311 -166.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -97.75 -5.24 35.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 124.772 1.229 . . . . 0.0 113.018 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.6 t30 62.11 28.56 17.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.981 1.712 . . . . 0.0 114.451 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.1 pt -135.02 153.56 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.415 1.486 . . . . 0.0 111.284 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -99.72 116.2 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -146.73 177.11 9.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.73 1.612 . . . . 0.0 111.328 -173.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.72 -16.6 41.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -173.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -20.5 65.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 170.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -91.3 139.89 30.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.046 1.739 . . . . 0.0 112.939 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.82 81.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.69 67.86 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -57.08 -30.84 64.65 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.603 1.161 . . . . 0.0 113.289 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -80.69 -20.72 42.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -111.1 -12.83 14.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 125.625 1.57 . . . . 0.0 114.732 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.3 141.53 58.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.873 1.269 . . . . 0.0 112.355 169.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -136.74 165.47 25.84 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.027 1.731 . . . . 0.0 111.324 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.48 126.21 75.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 124.379 1.072 . . . . 0.0 108.139 167.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -91.13 118.55 30.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.734 0.697 . . . . 0.0 110.195 172.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -100.41 117.45 34.62 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.259 1.023 . . . . 0.0 109.965 165.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -83.2 74.43 10.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.918 -1.114 . . . . 0.0 109.822 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.1 mt -58.24 -31.09 67.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 126.121 1.768 . . . . 0.0 114.587 -166.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -111.03 14.15 21.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.095 1.358 . . . . 0.0 114.425 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 57.25 60.49 2.91 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.172 1.789 . . . . 0.0 114.284 159.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -141.49 7.24 1.92 Allowed 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.66 -0.91 47.92 Favored Glycine 0 N--CA 1.44 -1.077 0 O-C-N 120.12 -1.613 . . . . 0.0 115.878 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.6 mt -98.18 128.64 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 p -87.25 156.91 19.45 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.03 -1.043 . . . . 0.0 112.383 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -137.69 156.27 48.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 124.8 1.24 . . . . 0.0 110.918 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.48 -25.15 66.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -76.44 -22.62 54.4 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.486 1.514 . . . . 0.0 113.885 168.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -85.5 -17.21 37.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.495 1.518 . . . . 0.0 113.619 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.35 126.1 30.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.763 1.225 . . . . 0.0 110.482 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 -111.16 143.74 41.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.119 2.168 . . . . 0.0 110.968 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.2 p -77.15 161.22 28.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.821 1.648 . . . . 0.0 111.213 168.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.42 -33.21 71.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.43 -0.794 . . . . 0.0 111.317 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.77 -41.7 82.89 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.401 1.08 . . . . 0.0 113.095 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.33 -25.62 62.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 119.22 0.918 . . . . 0.0 113.129 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.71 4.08 23.19 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 125.505 1.522 . . . . 0.0 112.823 169.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.37 26.2 74.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.576 1.56 . . . . 0.0 113.987 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.8 mt -82.78 137.93 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 119.034 1.417 . . . . 0.0 110.536 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -99.48 -45.38 5.84 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.415 1.886 . . . . 0.0 111.365 170.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.8 p -156.58 159.76 38.82 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 28.7 mt -112.65 136.56 52.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 126.386 1.874 . . . . 0.0 108.832 167.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -85.29 137.1 33.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.687 0.795 . . . . 0.0 111.202 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.57 -11.49 39.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.214 1.005 . . . . 0.0 113.51 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.93 142.01 35.51 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.74 0.816 . . . . 0.0 111.509 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -145.96 172.92 12.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.651 1.18 . . . . 0.0 111.669 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -133.84 143.09 48.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.124 1.77 . . . . 0.0 109.871 166.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -66.98 133.55 50.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.591 1.157 . . . . 0.0 109.884 171.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.1 p -136.6 -37.28 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -167.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.2 m120 50.08 56.91 7.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 127.183 2.193 . . . . 0.0 114.518 171.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -107.21 131.95 53.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.951 1.701 . . . . 0.0 112.577 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -75.86 125.01 28.27 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 123.696 0.798 . . . . 0.0 110.178 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 19.2 mt -100.54 -27.1 13.59 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.13 7.63 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.998 1.285 . . . . 0.0 112.67 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 53.88 30.16 11.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.271 1.828 . . . . 0.0 114.55 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.29 12.84 81.66 Favored Glycine 0 C--N 1.334 0.436 0 O-C-N 120.835 -1.165 . . . . 0.0 115.003 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -100.56 142.28 32.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 118.989 1.395 . . . . 0.0 110.951 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.3 m -135.9 123.99 22.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.584 0.753 . . . . 0.0 111.893 -169.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.61 110.43 14.93 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.857 -1.152 . . . . 0.0 109.301 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.98 -43.99 11.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -128.15 145.29 51.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.555 1.542 . . . . 0.0 110.233 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -138.15 144.88 40.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.392 1.077 . . . . 0.0 113.432 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.7 -160.03 9.93 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 127.672 2.558 . . . . 0.0 113.07 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -127.07 168.1 15.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -138.84 159.55 41.86 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.415 1.486 . . . . 0.0 111.239 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 m -122.66 143.48 49.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.256 1.423 . . . . 0.0 111.513 -170.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.91 162.18 13.23 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.405 1.882 . . . . 0.0 113.091 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 38.5 p -60.27 -36.08 76.98 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.954 -1.091 . . . . 0.0 112.358 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -76.69 2.73 13.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.56 0.86 89.32 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 79.0 p -72.94 161.1 31.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 119.827 1.813 . . . . 0.0 112.395 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 18.7 p -121.55 150.47 41.61 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.724 1.609 . . . . 0.0 112.856 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.83 172.18 13.38 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 127.16 2.184 . . . . 0.0 111.531 -170.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.0 140.57 48.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.87 1.268 . . . . 0.0 113.983 -165.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 24.6 ptm -149.96 169.12 21.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.664 1.185 . . . . 0.0 112.139 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.99 177.23 48.27 Favored Glycine 0 CA--C 1.52 0.402 0 O-C-N 121.429 -0.795 . . . . 0.0 114.184 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.28 119.96 31.77 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 124.012 0.925 . . . . 0.0 110.628 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.1 tp -110.81 119.48 39.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.233 1.813 . . . . 0.0 110.62 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.47 105.45 6.5 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.434 1.494 . . . . 0.0 109.644 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.51 137.17 42.32 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.347 1.459 . . . . 0.0 110.834 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.88 146.67 54.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.194 0.998 . . . . 0.0 111.73 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.58 156.24 27.79 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 121.261 -0.899 . . . . 0.0 113.37 -176.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.64 141.55 34.33 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 118.692 -2.505 . . . . 0.0 112.305 -14.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.28 -166.24 2.27 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 126.001 1.721 . . . . 0.0 110.284 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.32 -30.03 64.45 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 119.854 -1.779 . . . . 0.0 114.073 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -70.8 -41.98 70.9 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 120.185 1.357 . . . . 0.0 112.214 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.3 m -58.84 -50.1 75.23 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.835 1.254 . . . . 0.0 110.26 170.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -76.55 4.99 8.11 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.6 -32.07 65.67 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.386 0.994 . . . . 0.0 112.352 170.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 74.2 mt -97.1 136.52 37.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.81 1.244 . . . . 0.0 111.89 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 . . . . . 0 C--O 1.247 0.956 0 C-N-CA 127.358 2.263 . . . . 0.0 111.397 -176.485 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.253 0 N-CA-C 112.637 0.207 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.57 125.87 26.07 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.25 148.22 51.16 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.423 2.289 . . . . 0.0 111.463 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.77 137.31 52.29 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.504 1.522 . . . . 0.0 110.489 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -79.01 105.24 10.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.029 1.331 . . . . 0.0 109.722 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -31.99 19.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -101.89 -5.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.4 5.46 63.46 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 118.459 2.144 . . . . 0.0 118.459 167.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -96.9 21.69 9.3 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.442 1.621 . . . . 0.0 113.958 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.99 158.89 33.2 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 126.076 1.798 . . . . 0.0 113.469 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.41 123.31 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.75 160.8 37.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -174.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.5 p -127.92 160.98 30.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.775 1.63 . . . . 0.0 113.611 -166.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -145.59 150.31 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 C-N-CA 126.107 1.763 . . . . 0.0 110.271 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.33 171.27 13.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.939 1.296 . . . . 0.0 113.073 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -127.6 128.97 46.46 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.966 0.906 . . . . 0.0 110.442 -176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -65.94 136.59 56.3 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 124.799 1.24 . . . . 0.0 112.12 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.24 -162.36 31.93 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 115.275 0.87 . . . . 0.0 115.275 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -119.68 5.3 11.02 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 127.089 2.156 . . . . 0.0 113.622 175.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -72.97 167.16 21.64 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.309 1.844 . . . . 0.0 113.266 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.88 -172.35 48.37 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 124.608 1.099 . . . . 0.0 115.811 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.3 m -136.83 -29.43 0.93 Allowed 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.601 1.56 . . . . 0.0 114.986 177.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.3 mt -105.58 148.49 27.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.022 1.729 . . . . 0.0 112.315 -172.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -158.38 155.56 28.91 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 126.03 1.732 . . . . 0.0 110.942 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -70.73 -51.16 29.14 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 125.15 1.38 . . . . 0.0 111.996 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.84 178.94 9.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 126.926 2.09 . . . . 0.0 111.501 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -126.11 33.64 5.0 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.01 1.324 . . . . 0.0 111.736 165.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -72.93 -28.01 62.19 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 125.455 1.502 . . . . 0.0 112.251 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -77.29 -42.81 35.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.669 1.188 . . . . 0.0 111.434 169.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.75 161.41 23.84 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 125.462 1.506 . . . . 0.0 112.216 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -75.56 122.53 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 O-C-N 121.536 -0.979 . . . . 0.0 111.618 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -70.31 148.0 49.0 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 127.187 2.195 . . . . 0.0 113.364 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -68.61 129.26 39.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.844 1.258 . . . . 0.0 111.304 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.26 139.95 42.87 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -170.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.8 p -117.81 -18.48 9.56 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.738 2.015 . . . . 0.0 112.916 172.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.26 121.91 1.54 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 126.007 1.765 . . . . 0.0 110.914 167.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -138.41 171.75 13.91 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.493 1.517 . . . . 0.0 111.92 -161.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.52 138.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 O-C-N 121.374 -0.829 . . . . 0.0 111.236 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.0 t -61.37 157.68 16.18 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.202 1.401 . . . . 0.0 113.328 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.17 -12.0 60.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.02 -24.25 30.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 120.059 -1.651 . . . . 0.0 112.941 171.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.31 -179.19 3.85 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 127.738 2.415 . . . . 0.0 112.47 -176.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.47 169.11 36.89 Favored Glycine 0 C--N 1.339 0.713 0 O-C-N 120.132 -1.605 . . . . 0.0 115.892 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -98.09 144.2 27.83 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 125.432 1.493 . . . . 0.0 112.101 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.8 128.51 33.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.303 0.641 . . . . 0.0 109.963 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.5 m -143.61 163.28 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 124.319 1.048 . . . . 0.0 113.827 -171.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -154.05 114.57 3.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.658 1.183 . . . . 0.0 111.805 164.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -69.27 120.88 15.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.745 1.218 . . . . 0.0 110.619 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.0 mt -78.1 -6.7 55.49 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 120.88 -1.138 . . . . 0.0 113.568 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -88.15 -17.47 30.86 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.865 1.266 . . . . 0.0 112.608 167.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.18 27.03 73.88 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.959 -1.088 . . . . 0.0 115.183 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -108.17 -17.17 14.09 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.216 1.406 . . . . 0.0 113.29 176.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.14 23.66 29.04 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 125.478 1.513 . . . . 0.0 115.43 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.6 114.55 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.552 1.176 . . . . 0.0 108.639 172.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -90.07 104.65 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.79 1.636 . . . . 0.0 108.509 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -140.99 -5.23 1.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -174.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -119.93 142.92 48.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.388 1.475 . . . . 0.0 111.789 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.06 -21.39 56.07 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.749 1.059 . . . . 0.0 115.749 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.05 -0.97 15.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 173.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -105.33 -11.39 16.5 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.777 2.031 . . . . 0.0 113.141 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.5 mt -88.38 163.68 15.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.839 2.056 . . . . 0.0 110.002 158.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -101.5 112.49 25.06 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.773 0.829 . . . . 0.0 111.918 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.29 -160.9 25.84 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 126.227 1.87 . . . . 0.0 112.796 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.16 -19.54 62.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.29 7.82 23.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.519 1.128 . . . . 0.0 112.681 175.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -99.06 145.44 27.11 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 120.383 -1.448 . . . . 0.0 110.974 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.5 155.37 23.39 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.734 0.778 . . . . 0.0 113.049 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.9 mt -90.74 172.5 8.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 109.816 162.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.31 -14.72 63.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -89.51 -1.7 58.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 120.662 -1.273 . . . . 0.0 113.983 173.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.08 3.32 85.26 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 125.35 1.452 . . . . 0.0 115.425 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.0 p -78.08 157.3 29.58 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 119.117 1.458 . . . . 0.0 111.142 168.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -84.9 143.56 28.94 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 120.288 -1.508 . . . . 0.0 112.419 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.02 155.64 38.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -62.7 -42.29 99.57 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.339 1.055 . . . . 0.0 111.87 168.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -159.24 163.96 35.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.802 1.641 . . . . 0.0 112.154 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.27 93.93 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.127 1.346 . . . . 0.0 115.483 -174.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -63.79 -30.68 71.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.123 1.461 . . . . 0.0 112.748 173.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.64 62.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.254 0.934 . . . . 0.0 112.237 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.97 79.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.16 -35.48 61.6 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 124.916 1.286 . . . . 0.0 112.34 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.02 -19.02 64.88 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.54 -20.58 64.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.787 1.235 . . . . 0.0 113.934 171.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.7 mt -94.2 -4.69 48.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.757 1.223 . . . . 0.0 114.216 -171.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -72.46 125.53 27.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 118.961 0.801 . . . . 0.0 110.777 170.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -90.73 -33.65 15.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -171.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -112.65 -3.4 14.3 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.004 1.721 . . . . 0.0 115.095 -171.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.97 21.08 77.01 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 115.771 1.068 . . . . 0.0 115.771 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -77.24 -5.44 49.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.201 1.501 . . . . 0.0 113.077 172.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.261 8.2 t30 63.74 25.23 14.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.897 2.479 . . . . 0.0 114.038 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.07 151.72 35.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.322 1.449 . . . . 0.0 111.054 169.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.4 mm -97.86 114.83 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -147.65 172.77 13.53 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.718 1.207 . . . . 0.0 111.813 -172.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.44 -17.49 31.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -167.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.19 -18.24 50.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.45 135.09 37.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.274 1.03 . . . . 0.0 110.956 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.17 75.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 120.716 -1.24 . . . . 0.0 113.858 -173.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.46 66.74 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.91 -27.24 68.68 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 119.708 1.14 . . . . 0.0 113.312 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.37 -16.03 50.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -113.21 -16.78 12.49 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 115.837 1.792 . . . . 0.0 115.837 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.61 148.05 49.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.055 1.342 . . . . 0.0 110.905 166.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -138.29 170.73 15.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.508 1.923 . . . . 0.0 110.405 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -120.64 123.95 71.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 C-N-CA 124.748 1.219 . . . . 0.0 109.635 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -93.49 114.14 26.44 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.703 1.201 . . . . 0.0 110.976 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -109.16 97.07 6.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.441 1.097 . . . . 0.0 108.84 167.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.79 122.12 21.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.539 0.736 . . . . 0.0 110.371 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.2 mt -83.39 -5.49 59.16 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.144 0.978 . . . . 0.0 113.355 -173.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -111.65 -11.63 13.99 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.251 1.821 . . . . 0.0 112.248 170.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 51.08 35.63 13.49 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.864 2.066 . . . . 0.0 113.738 -166.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -101.25 -11.31 19.59 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.67 16.61 76.1 Favored Glycine 0 N--CA 1.446 -0.635 0 O-C-N 121.065 -1.022 . . . . 0.0 114.47 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.6 113.94 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 166.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -85.79 139.79 31.01 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.899 -1.125 . . . . 0.0 112.977 -165.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -129.83 144.15 51.16 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.835 1.254 . . . . 0.0 109.293 168.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.22 -27.66 68.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -172.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -61.55 -27.4 68.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.97 0.908 . . . . 0.0 112.924 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.3 -10.0 59.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.341 1.456 . . . . 0.0 113.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.6 mp -98.4 130.08 45.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.071 0.948 . . . . 0.0 109.895 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -115.79 154.21 30.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.806 2.042 . . . . 0.0 111.36 176.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.1 p -80.63 152.86 28.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.279 1.032 . . . . 0.0 112.833 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.49 -35.89 80.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.571 0.749 . . . . 0.0 111.556 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.94 -33.01 65.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.01 -34.88 79.1 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 119.053 0.842 . . . . 0.0 112.21 172.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.34 7.84 18.11 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.808 1.243 . . . . 0.0 113.717 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.46 27.59 73.7 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.127 -0.983 . . . . 0.0 114.74 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -83.23 132.24 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 119.106 1.453 . . . . 0.0 110.285 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -94.59 -51.73 4.61 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 111.016 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.4 p -157.18 160.31 38.61 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.477 1.111 . . . . 0.0 112.767 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt -112.33 136.18 52.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.882 1.673 . . . . 0.0 110.252 171.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -90.36 125.79 35.66 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.158 0.983 . . . . 0.0 111.571 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.66 -15.28 59.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.24 0.927 . . . . 0.0 113.219 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.02 140.12 48.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 119.822 1.192 . . . . 0.0 111.562 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -145.17 166.96 23.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.972 0.909 . . . . 0.0 112.68 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -129.16 148.34 51.09 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.802 2.041 . . . . 0.0 110.195 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -78.35 126.46 30.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.272 1.429 . . . . 0.0 110.95 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.65 -27.19 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 44.69 41.01 4.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 126.497 1.919 . . . . 0.0 115.739 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -76.57 116.53 17.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.76 0.824 . . . . 0.0 110.238 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -83.29 107.5 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.695 0.798 . . . . 0.0 109.359 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.3 mt -91.28 5.5 48.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -168.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.71 171.85 37.56 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 124.598 1.095 . . . . 0.0 113.156 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.02 29.57 3.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.247 1.819 . . . . 0.0 114.799 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.62 89.22 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 125.46 1.505 . . . . 0.0 116.278 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -95.31 145.68 24.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.473 1.636 . . . . 0.0 112.84 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.1 m -144.89 137.93 26.6 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.126 1.37 . . . . 0.0 109.958 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.0 tp -96.77 107.32 19.77 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 0.0 109.691 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.52 -49.75 8.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -127.39 141.92 51.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 126.787 2.035 . . . . 0.0 109.563 -175.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -138.89 142.98 38.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.316 1.046 . . . . 0.0 112.383 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.73 -147.89 4.62 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 127.14 2.305 . . . . 0.0 110.708 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 85.3 p -129.25 166.03 20.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -130.42 159.77 36.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.995 1.718 . . . . 0.0 109.418 157.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 98.6 m -111.86 134.46 53.4 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.598 1.159 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -92.9 159.05 15.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.11 1.764 . . . . 0.0 111.789 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.0 p -66.73 -17.99 65.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.22 1.408 . . . . 0.0 114.766 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -83.11 3.15 31.87 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.15 1.78 . . . . 0.0 114.607 170.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.5 2.81 87.02 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.394 1.473 . . . . 0.0 115.806 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 5.3 m -82.79 148.74 27.62 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.572 1.686 . . . . 0.0 110.844 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 35.8 p -105.95 146.59 29.83 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.561 0.744 . . . . 0.0 111.455 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.79 155.65 46.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 111.366 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -71.69 144.68 49.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.754 0.788 . . . . 0.0 112.395 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.1 ptm -141.15 161.42 37.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.606 0.762 . . . . 0.0 109.915 159.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.74 173.24 46.15 Favored Glycine 0 C--N 1.336 0.573 0 O-C-N 121.987 -0.446 . . . . 0.0 114.068 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -86.52 102.97 14.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.943 0.897 . . . . 0.0 110.752 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 65.2 tp -102.48 108.34 19.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.642 1.977 . . . . 0.0 109.131 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.08 136.31 44.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.037 1.335 . . . . 0.0 110.206 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 51.1 mt -112.65 130.18 56.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.657 1.983 . . . . 0.0 110.77 -163.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -89.86 131.26 35.88 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.068 0.947 . . . . 0.0 110.786 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -150.46 154.8 38.33 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -175.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -85.29 132.79 34.2 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.461 1.504 . . . . 0.0 113.609 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -86.04 12.39 9.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 -171.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 67.3 mt -88.39 172.44 9.38 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.644 -1.285 . . . . 0.0 110.977 167.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -48.75 137.59 12.1 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.081 1.353 . . . . 0.0 111.622 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 50.9 m -76.6 148.36 37.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.578 0.751 . . . . 0.0 112.864 -171.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -80.68 57.35 2.92 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 125.547 1.539 . . . . 0.0 112.531 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -64.76 155.21 34.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.542 1.137 . . . . 0.0 113.115 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.23 145.53 25.84 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.282 1.033 . . . . 0.0 111.577 -175.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--O 1.25 1.127 0 C-N-CA 126.865 2.066 . . . . 0.0 112.266 -172.298 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.187 0 N-CA-C 114.093 0.766 . . . . 0.0 114.093 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.75 124.83 24.38 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.71 143.82 48.56 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 126.471 1.909 . . . . 0.0 111.514 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -117.12 134.97 54.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 109.872 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -80.44 109.1 14.62 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.142 0.977 . . . . 0.0 109.852 166.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.25 -33.83 17.95 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -99.32 -6.49 27.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 42.66 5.15 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 167.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -138.36 20.27 2.75 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.168 1.387 . . . . 0.0 113.787 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.62 165.47 41.35 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.166 1.841 . . . . 0.0 114.135 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.8 138.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 109.497 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -146.71 158.33 43.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.807 -1.183 . . . . 0.0 113.281 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.0 p -130.82 158.68 39.51 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -164.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 127.829 2.452 . . . . 0.0 110.279 173.881 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.432 0.158 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.62 151.92 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 123.98 0.912 . . . . 0.0 113.027 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 p -53.65 163.19 0.71 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.872 1.269 . . . . 0.0 114.394 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.38 -8.66 48.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -87.59 -32.77 19.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.613 -1.304 . . . . 0.0 113.133 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -100.55 -167.94 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.126 1.771 . . . . 0.0 112.934 -170.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.28 170.13 39.37 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 120.357 -1.465 . . . . 0.0 115.305 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.7 mt -110.79 146.63 36.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.387 1.475 . . . . 0.0 111.939 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 tp -84.16 130.21 34.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.573 0.749 . . . . 0.0 111.156 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.34 165.05 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 C-N-CA 124.47 1.108 . . . . 0.0 112.943 -172.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -145.19 125.1 13.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.127 1.771 . . . . 0.0 109.416 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -80.72 121.76 26.29 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 118.53 0.605 . . . . 0.0 109.457 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.0 mt -105.26 -3.21 23.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.579 1.151 . . . . 0.0 113.94 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -125.78 1.24 7.43 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.29 78.97 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 115.814 1.086 . . . . 0.0 115.814 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -85.53 2.75 43.52 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 119.372 1.586 . . . . 0.0 114.537 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.33 3.28 90.68 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.54 1.543 . . . . 0.0 115.917 174.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.4 pt -138.59 163.44 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 126.15 1.78 . . . . 0.0 112.49 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.6 mm -101.02 112.28 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.0 1.32 . . . . 0.0 109.561 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -146.85 1.04 0.77 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -124.9 148.14 48.47 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 124.939 1.296 . . . . 0.0 111.312 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.32 -22.59 44.86 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 116.919 1.528 . . . . 0.0 116.919 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.72 -10.48 55.56 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.578 1.689 . . . . 0.0 115.298 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -84.9 -13.15 51.77 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -171.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.34 114.41 26.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.131 1.772 . . . . 0.0 109.266 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -64.37 124.96 23.1 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -169.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.71 -164.74 33.39 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.325 0.964 . . . . 0.0 113.014 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -71.17 24.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -128.13 -11.03 5.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.77 2.028 . . . . 0.0 113.056 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -73.26 150.31 42.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 118.988 0.813 . . . . 0.0 110.283 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -104.76 144.99 30.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.916 0.886 . . . . 0.0 113.087 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.13 175.01 10.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.652 2.781 . . . . 0.0 110.983 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.34 69.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -81.52 -3.62 53.65 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.477 -1.389 . . . . 0.0 114.46 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.16 4.42 74.49 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 120.635 -1.291 . . . . 0.0 115.074 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -70.61 147.97 48.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.613 1.706 . . . . 0.0 110.666 167.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -72.2 143.57 48.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.89 -1.131 . . . . 0.0 111.591 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.41 144.83 44.14 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.198 0.999 . . . . 0.0 111.936 171.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -75.14 -27.23 59.69 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.18 171.0 20.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.744 2.017 . . . . 0.0 110.959 176.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.02 -27.18 66.73 Favored Glycine 0 CA--C 1.521 0.417 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.672 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -68.55 -43.3 76.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 118.837 1.318 . . . . 0.0 112.348 174.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.29 77.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.824 -0.547 . . . . 0.0 112.409 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.49 84.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.792 1.237 . . . . 0.0 113.287 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -78.67 -34.48 46.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 112.979 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.14 -24.6 64.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.1 -23.04 18.69 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 124.954 1.301 . . . . 0.0 114.056 171.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.6 mt -96.43 -5.0 40.7 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.693 1.197 . . . . 0.0 114.011 -170.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -69.51 121.29 16.74 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.154 0.888 . . . . 0.0 109.967 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -84.45 -37.94 20.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -110.87 -10.38 14.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.5 37.85 11.58 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 120.37 1.441 . . . . 0.0 115.047 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -99.48 -2.34 36.21 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.104 1.362 . . . . 0.0 112.41 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.88 25.31 13.96 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.136 2.174 . . . . 0.0 114.991 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.1 pt -132.4 152.93 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.177 1.391 . . . . 0.0 111.56 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.2 mm -100.68 113.4 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -143.45 167.28 22.57 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.234 1.814 . . . . 0.0 111.89 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -19.94 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 -169.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 -21.04 62.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -75.68 125.78 29.72 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.081 1.352 . . . . 0.0 110.597 166.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.9 67.79 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.21 -19.18 63.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -62.0 -35.26 77.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 120.382 -1.448 . . . . 0.0 112.526 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -69.69 -19.26 63.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.474 -0.766 . . . . 0.0 113.057 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -98.49 -24.04 15.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.569 1.947 . . . . 0.0 113.524 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.29 152.28 44.14 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.911 0.884 . . . . 0.0 112.445 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -141.02 164.41 30.35 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.32 1.848 . . . . 0.0 110.485 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.4 t -115.02 132.46 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 124.539 1.136 . . . . 0.0 109.087 168.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -98.44 118.22 34.62 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.006 1.322 . . . . 0.0 109.838 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -112.57 98.2 7.09 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.759 1.224 . . . . 0.0 108.608 168.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.78 123.2 25.85 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.889 0.476 . . . . 0.0 110.454 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.9 mt -87.23 -11.41 49.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -115.79 -2.25 12.44 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 164.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.264 5.4 mp0 58.73 30.25 19.73 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.931 2.092 . . . . 0.0 115.403 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -79.6 -19.95 48.08 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.807 -1.183 . . . . 0.0 113.13 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.8 33.65 71.15 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 124.643 1.116 . . . . 0.0 112.528 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.2 mt -122.78 120.23 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 126.49 1.916 . . . . 0.0 106.538 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.2 t -87.74 134.76 33.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -157.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -123.37 151.16 42.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.512 1.525 . . . . 0.0 110.909 166.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.56 75.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -166.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.46 -16.79 64.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.58 -16.3 54.5 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 125.977 1.711 . . . . 0.0 113.134 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.53 146.0 26.55 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.821 0.848 . . . . 0.0 110.252 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -139.44 153.37 47.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.962 2.105 . . . . 0.0 110.759 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -79.61 165.36 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.106 0.962 . . . . 0.0 112.359 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.39 -38.01 74.62 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.306 -0.872 . . . . 0.0 111.488 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.68 -38.35 80.27 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.858 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.56 -28.69 67.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 120.085 1.311 . . . . 0.0 113.086 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.2 mt -83.68 1.32 43.09 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.101 1.761 . . . . 0.0 112.967 173.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.11 26.15 72.98 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.173 -0.954 . . . . 0.0 114.289 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 98.4 mt -85.28 133.52 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 118.571 1.185 . . . . 0.0 110.246 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.56 -50.21 5.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.311 1.844 . . . . 0.0 111.655 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.1 p -158.21 161.75 37.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.261 1.025 . . . . 0.0 112.878 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.3 mp -115.61 139.62 49.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.253 1.421 . . . . 0.0 109.362 167.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -86.84 137.39 32.44 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.867 0.867 . . . . 0.0 111.518 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.25 -11.29 38.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 119.049 0.841 . . . . 0.0 113.119 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.71 135.89 39.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.951 1.251 . . . . 0.0 112.01 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -141.2 172.06 13.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.318 1.047 . . . . 0.0 113.648 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.46 142.81 45.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.478 2.311 . . . . 0.0 109.973 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -74.22 139.6 44.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 111.382 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.47 -35.65 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.957 1.303 . . . . 0.0 114.065 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 51.31 40.81 27.18 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.666 1.586 . . . . 0.0 113.644 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -89.69 121.09 31.54 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.766 1.626 . . . . 0.0 112.221 -168.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -71.22 125.08 25.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.1 mt -97.32 -34.31 11.11 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.931 0.892 . . . . 0.0 113.141 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.91 158.85 7.75 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 125.677 1.608 . . . . 0.0 112.6 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.5 m120 46.31 36.09 3.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 127.368 2.267 . . . . 0.0 114.97 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.99 -4.72 85.52 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 125.59 1.566 . . . . 0.0 116.745 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -83.56 135.41 34.64 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.091 1.445 . . . . 0.0 111.339 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 62.0 m -135.2 123.0 22.39 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 123.857 0.863 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -76.79 114.48 15.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.09 -52.78 8.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 118.794 0.725 . . . . 0.0 111.874 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -141.37 147.3 37.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 125.634 1.574 . . . . 0.0 111.052 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -133.65 142.09 47.9 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.939 1.295 . . . . 0.0 112.669 -173.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -140.33 -147.99 5.08 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 127.27 2.367 . . . . 0.0 111.233 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.9 m -126.24 164.77 20.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.898 1.279 . . . . 0.0 113.526 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -132.78 163.37 29.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.674 1.589 . . . . 0.0 109.254 155.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.5 m -122.97 139.82 53.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.775 1.23 . . . . 0.0 110.698 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.14 157.66 16.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.588 1.955 . . . . 0.0 111.64 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.2 p -63.84 -24.49 67.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -69.59 -4.4 19.03 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 94.1 -0.29 66.47 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 126.157 1.837 . . . . 0.0 115.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 2.0 m -85.96 151.46 23.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 119.34 1.57 . . . . 0.0 111.578 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.3 p -107.69 153.92 22.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.349 1.06 . . . . 0.0 112.341 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.92 164.12 33.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.479 1.512 . . . . 0.0 111.191 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -80.13 145.86 32.14 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 122.508 1.147 . . . . 0.0 112.991 -173.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.0 ptm -144.5 160.74 40.6 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.808 0.843 . . . . 0.0 110.329 162.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -170.38 172.45 44.04 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 118.424 0.557 . . . . 0.0 113.691 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -90.91 114.45 26.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.6 0.714 . . . . 0.0 109.938 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.8 tp -105.3 121.74 44.49 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.997 1.719 . . . . 0.0 110.731 -171.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 51.5 mt -78.62 121.5 24.74 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.85 1.26 . . . . 0.0 108.787 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 124.969 1.308 . . . . 0.0 111.602 -172.207 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 49.9 Cg_exo . . . . . 0 CA--C 1.519 -0.252 0 N-CA-C 113.304 0.463 . . . . 0.0 113.304 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.98 124.44 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.523 1.129 . . . . 0.0 112.703 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.81 143.29 49.49 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.585 2.354 . . . . 0.0 112.044 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -118.06 133.09 56.24 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 127.067 2.147 . . . . 0.0 109.703 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -74.16 120.69 20.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.6 -0.688 . . . . 0.0 109.329 167.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.45 -41.86 13.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -113.45 21.59 15.01 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.124 1.77 . . . . 0.0 114.96 -170.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.42 28.92 68.86 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 118.42 -1.211 . . . . 0.0 116.083 166.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -129.87 13.79 5.81 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.492 1.646 . . . . 0.0 114.324 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.49 162.03 38.04 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.911 1.243 . . . . 0.0 113.49 -173.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -78.86 120.86 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 O-C-N 121.781 -0.835 . . . . 0.0 109.457 -176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.96 132.59 38.27 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.926 1.29 . . . . 0.0 111.778 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -135.23 159.86 40.21 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.598 1.159 . . . . 0.0 113.811 -166.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.444 -0.754 0 C-N-CA 127.311 2.244 . . . . 0.0 111.201 -172.826 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.4 m -88.16 143.93 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -64.22 160.59 18.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.233 163.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.05 -17.43 52.33 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 120.798 -1.189 . . . . 0.0 114.133 169.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.82 -19.73 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 127.354 2.262 . . . . 0.0 114.595 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -137.41 170.36 16.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.016 2.126 . . . . 0.0 113.919 -176.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.88 153.55 19.8 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 123.989 0.804 . . . . 0.0 114.813 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 mt -101.21 139.32 37.06 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.274 1.83 . . . . 0.0 110.998 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 tp -77.03 127.76 33.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.222 0.609 . . . . 0.0 110.248 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.2 m -144.48 162.33 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.299 1.04 . . . . 0.0 112.64 -170.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -146.25 131.33 18.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.308 1.443 . . . . 0.0 109.921 164.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.77 123.41 23.27 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 122.899 0.48 . . . . 0.0 110.323 169.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.8 1.94 29.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.218 1.407 . . . . 0.0 113.701 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.92 13.45 3.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.48 9.82 69.47 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 170.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -80.84 -6.1 58.15 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.722 2.261 . . . . 0.0 114.034 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.34 89.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 124.895 1.236 . . . . 0.0 115.835 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.1 pt -135.42 166.79 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.914 1.686 . . . . 0.0 112.736 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -100.13 114.61 39.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 125.575 1.55 . . . . 0.0 109.469 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -147.28 -25.22 0.39 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -87.59 148.04 25.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 120.119 1.327 . . . . 0.0 110.866 172.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.22 -18.61 35.87 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 117.146 1.618 . . . . 0.0 117.146 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.68 -14.08 35.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -78.4 -24.5 46.25 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.0 pt? -89.87 134.31 34.27 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.271 1.028 . . . . 0.0 110.348 161.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.0 m-85 -69.97 107.23 3.5 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 122.953 0.501 . . . . 0.0 111.885 -172.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.91 -171.53 23.97 Favored Glycine 0 C--N 1.341 0.846 0 C-N-CA 125.032 1.301 . . . . 0.0 112.1 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -71.34 1.87 5.62 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -100.22 -14.6 18.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.04 1.336 . . . . 0.0 112.902 170.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -68.36 149.53 49.28 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.629 1.172 . . . . 0.0 109.713 163.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -95.31 158.97 15.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.401 1.08 . . . . 0.0 113.513 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.45 169.88 17.41 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.291 1.436 . . . . 0.0 110.833 162.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.4 69.1 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -88.19 13.28 11.73 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 119.754 1.161 . . . . 0.0 113.943 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.49 1.6 86.61 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 126.016 1.769 . . . . 0.0 115.076 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -72.21 161.51 30.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 119.458 1.629 . . . . 0.0 112.487 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -68.82 148.97 49.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.117 0.567 . . . . 0.0 112.353 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.79 148.82 24.49 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 124.856 1.263 . . . . 0.0 111.275 171.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -77.19 -32.48 56.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.78 170.25 22.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 127.827 2.451 . . . . 0.0 111.006 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.53 -28.41 73.59 Favored Glycine 0 C--N 1.338 0.664 0 O-C-N 121.109 -0.995 . . . . 0.0 114.564 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.37 -41.1 94.15 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.833 1.316 . . . . 0.0 112.045 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.27 83.5 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 118.927 0.785 . . . . 0.0 112.554 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.5 81.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.75 -36.8 73.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.051 0.94 . . . . 0.0 112.914 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.51 -19.41 63.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.84 -17.99 64.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.5 mt -94.58 1.21 55.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.84 127.04 32.22 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.329 0.968 . . . . 0.0 110.908 164.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.9 m -88.71 -15.94 33.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -109.61 -21.78 12.28 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -159.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.66 38.34 57.23 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 123.884 0.754 . . . . 0.0 112.664 -165.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 43.3 p30 -110.08 -0.32 18.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.715 1.206 . . . . 0.0 113.253 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 t30 59.58 23.25 11.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 127.147 2.179 . . . . 0.0 115.838 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.5 pt -135.69 154.24 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 124.482 1.113 . . . . 0.0 112.812 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -103.76 114.56 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -147.07 172.27 14.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.625 1.97 . . . . 0.0 111.369 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.26 -16.08 12.64 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.33 -22.28 60.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 171.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -81.48 130.44 35.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.908 1.283 . . . . 0.0 111.164 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.141 -1.6 . . . . 0.0 112.865 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.96 -25.82 65.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 171.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -62.91 -25.84 68.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 O-C-N 120.163 -1.585 . . . . 0.0 112.844 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.17 -25.29 36.93 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.571 1.148 . . . . 0.0 113.583 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 p -101.14 -21.05 15.07 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.75 146.79 44.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 112.284 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -141.6 170.2 16.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 126.933 2.093 . . . . 0.0 110.469 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.9 t -114.89 138.85 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 124.33 1.052 . . . . 0.0 109.158 164.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -118.6 132.44 56.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.462 1.028 . . . . 0.0 109.836 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.49 128.07 45.09 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 124.124 0.969 . . . . 0.0 109.602 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -87.07 79.09 8.79 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.38 1.086 . . . . 0.0 111.251 -172.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.1 -17.38 39.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.468 1.507 . . . . 0.0 113.711 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -112.25 4.21 17.62 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.153 1.381 . . . . 0.0 113.734 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 46.46 60.96 2.99 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 126.52 1.928 . . . . 0.0 113.598 169.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -127.73 -16.87 4.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.055 1.742 . . . . 0.0 113.764 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.42 5.5 82.2 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.149 1.833 . . . . 0.0 115.276 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.1 mt -116.52 140.62 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 127.66 2.384 . . . . 0.0 108.733 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.5 t -93.19 138.74 31.32 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -130.08 144.74 51.51 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.052 1.741 . . . . 0.0 109.552 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -30.13 69.54 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -173.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -73.24 -16.14 61.41 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -86.33 -9.19 56.9 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.533 1.533 . . . . 0.0 113.72 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.8 mp -84.41 135.5 34.25 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.361 -0.837 . . . . 0.0 111.793 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -113.7 144.81 42.32 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 128.318 2.647 . . . . 0.0 110.382 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.1 p -76.47 162.58 27.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.95 0.5 . . . . 0.0 111.656 165.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.01 -39.96 94.18 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.551 -0.718 . . . . 0.0 111.243 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.98 -45.32 94.17 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.878 1.271 . . . . 0.0 112.603 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.79 -19.17 63.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.397 0.999 . . . . 0.0 113.142 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -92.21 -1.79 56.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.976 1.31 . . . . 0.0 113.6 169.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.93 18.72 79.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 124.958 1.266 . . . . 0.0 115.457 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 84.4 mt -78.89 124.84 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 119.093 1.446 . . . . 0.0 109.687 -174.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -92.7 -48.71 6.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.557 1.543 . . . . 0.0 111.697 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.5 p -161.85 161.32 28.91 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 113.015 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.9 mt -107.04 146.52 31.07 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.355 1.462 . . . . 0.0 111.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -93.17 130.85 38.69 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.756 1.222 . . . . 0.0 110.726 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.24 -2.46 58.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.36 147.28 23.15 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.721 1.146 . . . . 0.0 112.18 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -157.12 170.88 21.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.511 1.524 . . . . 0.0 110.831 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -122.92 141.88 51.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.021 1.329 . . . . 0.0 110.129 169.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -71.92 127.79 33.69 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 123.596 0.759 . . . . 0.0 110.254 167.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.4 m -126.86 -23.74 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.924 1.29 . . . . 0.0 113.161 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.7 m120 50.37 36.66 13.56 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 125.078 1.351 . . . . 0.0 113.993 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -80.84 114.08 19.48 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 127.447 2.299 . . . . 0.0 111.132 -165.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -66.43 133.71 50.99 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.859 -0.525 . . . . 0.0 111.175 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.5 mt -117.9 8.56 12.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.94 1.296 . . . . 0.0 113.364 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.62 169.62 26.96 Favored Glycine 0 CA--C 1.523 0.58 0 O-C-N 120.713 -1.242 . . . . 0.0 114.177 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 54.34 28.68 9.68 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.944 1.297 . . . . 0.0 114.232 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.58 3.5 89.66 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.907 1.242 . . . . 0.0 115.932 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -86.17 143.04 28.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.639 1.72 . . . . 0.0 112.344 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -142.16 130.19 21.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 109.942 170.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.7 tp -91.76 107.64 19.35 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.36 -47.64 13.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -170.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -128.52 139.95 52.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.677 1.591 . . . . 0.0 110.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -132.09 140.76 48.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.314 1.446 . . . . 0.0 112.363 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.72 -152.44 5.83 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 128.131 2.777 . . . . 0.0 112.188 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 81.2 p -143.13 170.67 15.3 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -132.97 157.15 45.89 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 127.424 2.289 . . . . 0.0 112.048 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 35.9 m -104.05 138.99 39.79 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 125.216 1.406 . . . . 0.0 111.293 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -103.64 155.91 18.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.099 1.76 . . . . 0.0 114.02 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.5 p -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.899 1.279 . . . . 0.0 113.661 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -78.9 9.8 3.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.728 1.211 . . . . 0.0 114.115 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.45 8.06 87.52 Favored Glycine 0 C--O 1.221 -0.661 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 8.5 m -85.9 144.09 27.86 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.831 1.316 . . . . 0.0 111.753 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 99.7 m -108.92 133.68 52.6 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.625 1.17 . . . . 0.0 110.489 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -134.4 157.39 46.54 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.52 1.528 . . . . 0.0 113.032 -167.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.46 141.31 32.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.559 1.543 . . . . 0.0 112.456 -168.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -150.58 163.69 37.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.529 1.132 . . . . 0.0 112.669 168.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.53 173.85 46.46 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.179 0.445 . . . . 0.0 114.165 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -87.92 117.56 26.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 121.936 -0.744 . . . . 0.0 110.484 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 46.2 tp -110.72 126.93 55.07 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.982 1.713 . . . . 0.0 110.564 -172.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.96 88.24 2.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 122.663 1.221 . . . . 0.0 109.632 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.451 -0.382 0 C-N-CA 127.243 2.217 . . . . 0.0 111.841 177.087 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 12.9 Cg_exo . . . . . 0 N--CA 1.463 -0.266 0 CA-C-O 118.481 -0.716 . . . . 0.0 112.7 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.01 121.45 12.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.88 0.763 . . . . 0.0 111.351 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.32 145.0 45.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.566 2.347 . . . . 0.0 110.84 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.75 136.81 53.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.76 1.624 . . . . 0.0 110.362 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.78 110.28 16.96 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.29 -24.51 23.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -165.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -113.02 -7.8 13.67 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.06 32.98 9.22 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 120.656 -1.278 . . . . 0.0 115.309 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -131.57 19.67 4.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.52 1.66 . . . . 0.0 113.835 174.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.36 154.5 31.02 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 126.59 2.043 . . . . 0.0 114.626 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -75.16 120.36 24.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 124.773 1.229 . . . . 0.0 109.309 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -120.93 143.81 48.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -114.85 158.17 22.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.446 -0.651 0 C-N-CA 126.254 1.822 . . . . 0.0 110.368 170.674 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.52 127.59 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 124.995 1.318 . . . . 0.0 109.897 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -55.76 152.4 9.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.424 -0.798 . . . . 0.0 112.338 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.95 -9.8 4.8 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 172.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.8 -28.93 69.81 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.344 1.458 . . . . 0.0 113.306 166.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -129.8 -171.57 2.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.675 2.79 . . . . 0.0 112.572 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 174.67 38.42 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 116.344 1.297 . . . . 0.0 116.344 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.74 144.56 30.28 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.406 1.882 . . . . 0.0 111.31 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.94 132.33 39.0 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.199 0.6 . . . . 0.0 110.071 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.96 164.44 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 124.188 0.995 . . . . 0.0 113.034 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -152.16 125.51 8.76 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.378 1.471 . . . . 0.0 110.105 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -77.66 128.88 34.81 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 118.438 0.563 . . . . 0.0 110.004 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -105.44 -6.45 19.48 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.41 -0.85 6.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.62 38.75 57.12 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -108.75 -3.5 17.73 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.7 7.08 88.78 Favored Glycine 0 C--N 1.339 0.748 0 C-N-CA 125.201 1.382 . . . . 0.0 115.772 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 pt -133.04 155.34 41.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 119.318 1.559 . . . . 0.0 112.683 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.8 mm -99.91 102.36 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 126.112 1.765 . . . . 0.0 107.776 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -120.29 -3.99 9.97 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -162.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -153.63 160.84 42.52 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.234 1.414 . . . . 0.0 111.83 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.52 -16.87 63.72 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 116.213 1.245 . . . . 0.0 116.213 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -13.1 60.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.446 1.123 . . . . 0.0 113.866 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -92.38 -7.61 47.24 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.409 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.19 166.37 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.705 2.002 . . . . 0.0 110.342 160.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 96.6 m-85 -101.09 107.02 18.34 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.99 164.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.48 -167.36 35.04 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.443 1.02 . . . . 0.0 113.425 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -70.85 3.16 3.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 116.304 1.964 . . . . 0.0 116.304 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -124.0 14.18 9.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.503 1.521 . . . . 0.0 111.87 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.3 m -89.41 148.2 23.62 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.264 1.826 . . . . 0.0 110.569 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.53 148.92 23.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.08 175.7 7.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.688 2.395 . . . . 0.0 110.949 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -30.46 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -79.77 1.29 27.28 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.983 1.313 . . . . 0.0 113.486 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 0.53 87.99 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.571 1.558 . . . . 0.0 113.967 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.2 p -78.51 161.55 26.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 119.014 1.407 . . . . 0.0 110.916 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -87.43 141.89 28.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.61 -1.306 . . . . 0.0 112.99 -174.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 137.96 47.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.677 1.191 . . . . 0.0 111.364 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -70.52 -25.66 63.23 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -159.63 171.16 20.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.111 2.165 . . . . 0.0 111.752 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.95 -26.06 71.11 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.63 -38.7 54.25 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 119.164 1.482 . . . . 0.0 112.496 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.26 73.9 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 119.155 0.889 . . . . 0.0 111.82 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.019 0.928 . . . . 0.0 113.18 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -75.24 -32.39 61.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.885 0.874 . . . . 0.0 112.979 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -18.69 59.78 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.776 1.23 . . . . 0.0 114.256 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.7 -22.96 49.18 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 113.754 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.5 mt -103.51 2.53 33.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -166.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -75.1 125.17 28.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.377 -0.827 . . . . 0.0 109.939 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -91.73 -30.36 16.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -109.22 -3.95 16.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.53 62.0 4.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.745 1.164 . . . . 0.0 112.011 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -122.81 3.28 9.48 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.34 1.056 . . . . 0.0 113.692 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.5 t30 67.92 20.07 9.32 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.716 1.607 . . . . 0.0 115.161 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 pt -135.55 155.54 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 C-N-CA 125.014 1.326 . . . . 0.0 112.583 169.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mm -105.07 119.1 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.494 1.517 . . . . 0.0 109.113 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -152.69 169.21 23.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.785 1.234 . . . . 0.0 111.561 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 -25.2 65.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.16 -14.12 61.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -84.22 134.03 34.56 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 119.842 1.201 . . . . 0.0 112.498 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.82 65.35 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -171.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.41 -19.08 58.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.055 1.742 . . . . 0.0 114.691 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -61.07 -33.02 72.66 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.813 1.188 . . . . 0.0 113.025 -169.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.84 -28.77 66.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -86.34 -11.47 52.01 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 93.0 mt -76.35 137.79 40.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.816 -1.178 . . . . 0.0 112.538 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -136.95 170.43 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.822 1.649 . . . . 0.0 110.683 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.8 t -123.05 134.37 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.763 1.225 . . . . 0.0 109.171 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -102.49 124.85 48.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.975 1.31 . . . . 0.0 109.764 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -117.7 102.2 8.95 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.572 1.549 . . . . 0.0 108.262 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.04 111.63 12.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.359 -0.838 . . . . 0.0 109.572 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.5 mt -73.05 -11.01 60.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.69 1.196 . . . . 0.0 113.263 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -113.87 -8.29 13.15 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 126.263 1.825 . . . . 0.0 113.477 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.93 33.29 11.36 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.484 1.913 . . . . 0.0 113.883 -172.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -92.1 -6.99 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.65 22.36 72.6 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 124.124 0.869 . . . . 0.0 114.774 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -121.96 122.11 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 C-N-CA 126.826 2.051 . . . . 0.0 107.788 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -87.76 139.75 30.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.862 0.865 . . . . 0.0 113.04 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -129.71 154.11 47.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.378 1.471 . . . . 0.0 109.641 169.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.46 69.07 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -71.1 -8.47 53.66 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.18 -8.4 36.38 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.362 1.465 . . . . 0.0 112.798 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.4 mt -89.54 151.29 22.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.27 1.028 . . . . 0.0 110.944 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -133.14 146.41 51.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.292 1.837 . . . . 0.0 110.533 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.5 p -69.18 155.14 40.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.222 1.009 . . . . 0.0 111.153 165.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.5 mt -66.91 -28.66 68.49 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 120.809 -1.182 . . . . 0.0 110.943 165.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.18 -46.86 87.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.794 1.238 . . . . 0.0 112.566 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.6 -19.15 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.08 -13.71 43.5 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.631 1.172 . . . . 0.0 112.462 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.66 42.27 87.93 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 124.755 1.169 . . . . 0.0 113.223 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.69 130.84 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.153 0.981 . . . . 0.0 109.566 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.03 -45.41 5.95 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.126 1.77 . . . . 0.0 112.175 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.0 p -160.05 166.48 29.85 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.843 1.257 . . . . 0.0 111.857 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 mp -127.65 144.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -84.32 143.3 29.59 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.036 0.935 . . . . 0.0 113.323 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 76.3 mt -100.65 -3.46 30.31 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.392 1.477 . . . . 0.0 112.627 163.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.93 122.83 26.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.62 1.168 . . . . 0.0 110.648 164.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -137.27 164.25 29.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.712 1.605 . . . . 0.0 113.332 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -128.16 139.54 52.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.186 2.195 . . . . 0.0 110.114 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.12 125.52 28.52 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 118.774 0.716 . . . . 0.0 109.242 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.52 -29.98 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 49.12 39.68 15.78 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 126.253 1.821 . . . . 0.0 114.412 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -75.18 131.18 40.26 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.137 1.375 . . . . 0.0 111.345 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -84.41 114.7 22.09 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.583 1.083 . . . . 0.0 109.48 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.31 17.41 12.87 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.766 1.226 . . . . 0.0 113.778 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.41 170.05 41.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 124.674 1.13 . . . . 0.0 113.315 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 52.5 26.7 4.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.633 1.973 . . . . 0.0 114.83 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 9.86 82.64 Favored Glycine 0 C--N 1.344 1.002 0 C-N-CA 126.085 1.803 . . . . 0.0 116.434 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -102.26 140.98 35.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.021 1.41 . . . . 0.0 112.363 -172.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.9 m -128.83 117.44 21.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.886 0.875 . . . . 0.0 112.394 -173.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.5 tp -80.06 97.45 6.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.301 1.44 . . . . 0.0 108.961 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.46 -55.82 10.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.238 0.615 . . . . 0.0 112.626 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -131.32 142.75 50.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.974 1.31 . . . . 0.0 110.226 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -135.53 141.43 45.24 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.939 1.296 . . . . 0.0 112.116 -168.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.65 -149.78 5.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 127.319 2.39 . . . . 0.0 111.627 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 66.6 m -138.05 166.17 24.76 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 123.948 0.899 . . . . 0.0 113.337 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -131.34 162.57 29.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.003 1.721 . . . . 0.0 110.533 165.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.4 m -116.87 140.62 49.24 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.077 1.351 . . . . 0.0 110.722 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -99.49 159.86 14.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.661 1.584 . . . . 0.0 111.819 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 40.8 p -68.45 -14.79 63.25 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -82.05 6.41 16.34 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 166.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.61 -3.86 85.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 125.692 1.615 . . . . 0.0 115.974 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 54.8 p -76.88 153.89 34.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.205 1.502 . . . . 0.0 113.264 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 2.8 m -111.97 139.2 47.66 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.455 1.502 . . . . 0.0 110.15 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.6 45.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 111.69 -164.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -93.92 145.64 24.48 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -167.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -153.99 164.58 38.2 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.743 1.217 . . . . 0.0 112.86 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.9 171.82 44.37 Favored Glycine 0 N--CA 1.439 -1.122 0 O-C-N 121.246 -0.909 . . . . 0.0 114.896 173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -82.96 105.2 13.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.517 1.127 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 51.5 tp -97.43 114.17 25.97 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.888 1.675 . . . . 0.0 110.855 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 40.9 mt -75.34 130.03 38.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.054 1.341 . . . . 0.0 108.768 169.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.223 -0.312 0 C-N-CA 124.724 1.21 . . . . 0.0 112.053 -169.375 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 CA--C 1.519 -0.27 0 N-CA-C 112.908 0.311 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.33 125.98 28.35 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.47 148.96 42.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.22 2.208 . . . . 0.0 111.856 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -119.45 139.6 51.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.249 2.22 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -82.51 100.33 10.03 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.43 1.492 . . . . 0.0 110.66 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.25 95.4 mt -91.44 -19.66 22.61 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -168.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -100.25 -8.63 23.27 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 121.071 1.759 . . . . 0.0 114.338 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.92 27.76 15.64 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 165.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -123.0 15.35 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.288 1.544 . . . . 0.0 114.446 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.23 154.03 28.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 126.696 2.094 . . . . 0.0 113.104 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.67 135.75 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 121.244 -1.151 . . . . 0.0 110.216 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -129.95 152.9 48.91 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.389 1.476 . . . . 0.0 113.351 -175.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.6 p -137.07 151.1 48.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.6 1.56 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t . . . . . 0 N--CA 1.446 -0.629 0 C-N-CA 125.473 1.509 . . . . 0.0 110.39 -176.257 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 120.299 0.095 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.07 137.5 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.887 0.875 . . . . 0.0 111.82 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 t -62.45 152.6 33.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.354 1.062 . . . . 0.0 113.12 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.34 -22.08 65.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.09 -8.09 59.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -118.15 -173.67 2.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.861 2.465 . . . . 0.0 111.907 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.16 179.63 39.59 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 120.062 -1.649 . . . . 0.0 114.759 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.21 143.88 44.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.751 1.621 . . . . 0.0 112.186 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.7 127.34 32.82 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 123.979 0.912 . . . . 0.0 109.829 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.93 159.35 14.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 124.3 1.04 . . . . 0.0 112.462 -168.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -154.28 131.58 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.229 1.012 . . . . 0.0 111.715 169.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.67 124.98 25.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.591 1.157 . . . . 0.0 112.281 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.8 mt -107.18 -3.38 19.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.568 . . . . 0.0 114.764 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -127.06 17.66 7.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.09 25.36 75.48 Favored Glycine 0 C--N 1.342 0.863 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 167.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -106.17 -4.46 20.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.341 1.456 . . . . 0.0 114.342 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.89 -3.71 74.22 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 125.824 1.678 . . . . 0.0 115.961 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.23 165.97 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.075 1.75 . . . . 0.0 112.163 -175.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -105.85 106.91 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 125.602 1.561 . . . . 0.0 108.944 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -144.83 13.22 1.48 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -169.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -137.83 142.72 40.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.427 1.091 . . . . 0.0 111.226 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.18 -15.78 45.76 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 -173.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.9 -15.54 34.12 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.82 1.31 . . . . 0.0 114.023 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -75.86 -22.94 55.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.671 1.188 . . . . 0.0 112.201 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.95 129.81 35.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.927 1.291 . . . . 0.0 108.242 160.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -66.5 108.07 2.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.34 0.518 . . . . 0.0 112.198 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.84 -166.43 21.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 124.505 1.05 . . . . 0.0 113.392 -171.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -79.77 6.17 11.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.753 1.221 . . . . 0.0 114.188 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.78 -5.77 19.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.271 1.428 . . . . 0.0 113.111 165.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -77.81 144.7 36.87 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.409 1.483 . . . . 0.0 110.033 165.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -98.13 159.87 14.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.53 170.86 9.83 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 128.229 2.612 . . . . 0.0 110.531 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.79 -20.46 65.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -170.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -87.49 1.64 52.92 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 125.759 1.624 . . . . 0.0 113.137 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 -1.34 88.92 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 125.504 1.526 . . . . 0.0 116.285 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -68.21 155.4 39.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.55 1.675 . . . . 0.0 111.848 166.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -76.77 145.54 38.49 Favored 'General case' 0 N--CA 1.441 -0.917 0 O-C-N 121.357 -0.839 . . . . 0.0 111.085 173.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.86 154.55 39.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.612 -0.68 . . . . 0.0 112.824 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.42 -47.4 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.562 1.545 . . . . 0.0 110.996 167.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.3 172.15 17.11 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 127.443 2.297 . . . . 0.0 110.178 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.94 -27.62 62.4 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 121.178 -0.951 . . . . 0.0 115.124 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.28 -37.44 80.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 118.38 1.09 . . . . 0.0 113.293 174.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.98 73.74 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.526 -0.734 . . . . 0.0 112.239 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.83 76.42 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 173.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.16 -40.96 43.61 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.197 1.399 . . . . 0.0 112.54 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -23.44 65.9 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.37 -22.55 61.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.744 1.217 . . . . 0.0 112.976 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.5 mt -91.06 -5.8 54.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.097 1.359 . . . . 0.0 114.468 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -73.02 124.87 26.35 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 119.413 1.006 . . . . 0.0 110.255 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.1 p -81.15 -17.43 49.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.654 1.182 . . . . 0.0 114.041 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -111.51 -24.92 9.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -167.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.27 28.84 73.56 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 118.655 0.662 . . . . 0.0 113.281 -158.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -90.06 7.33 38.29 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.528 1.131 . . . . 0.0 112.61 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 63.88 25.28 13.96 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.933 2.093 . . . . 0.0 114.48 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.76 152.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.258 1.423 . . . . 0.0 113.022 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.6 123.07 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -151.4 175.92 11.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.494 1.918 . . . . 0.0 111.284 -172.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.99 -16.17 16.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -175.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.64 65.97 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 120.355 1.434 . . . . 0.0 114.305 168.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -92.97 139.51 30.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.441 1.496 . . . . 0.0 111.893 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.76 70.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.032 -1.043 . . . . 0.0 113.316 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.48 66.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.66 -25.67 68.25 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.791 1.178 . . . . 0.0 113.191 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -91.57 -19.61 22.56 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 172.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.7 p -97.49 -25.43 15.18 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 121.43 1.923 . . . . 0.0 114.844 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.35 151.47 40.74 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.344 1.457 . . . . 0.0 112.011 171.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -136.54 166.71 22.87 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.718 1.607 . . . . 0.0 110.337 172.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.6 t -123.9 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.055 1.342 . . . . 0.0 108.911 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -120.93 127.95 52.31 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.709 1.203 . . . . 0.0 112.045 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -116.39 108.86 16.58 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.166 1.386 . . . . 0.0 109.957 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -81.71 72.41 8.76 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.958 0.903 . . . . 0.0 111.426 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.19 -24.34 67.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -105.98 8.75 32.6 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 54.78 61.15 3.1 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.403 1.881 . . . . 0.0 114.153 164.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -133.98 -1.03 3.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.16 67.64 Favored Glycine 0 CA--C 1.527 0.781 0 O-C-N 120.629 -1.295 . . . . 0.0 115.998 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.1 mt -97.21 137.83 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 119.47 1.635 . . . . 0.0 109.101 174.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.8 p -94.84 149.95 20.7 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.901 1.28 . . . . 0.0 112.454 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -138.38 158.95 43.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.654 1.982 . . . . 0.0 110.527 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.2 74.76 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.344 -0.847 . . . . 0.0 113.185 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -77.25 -7.39 55.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 174.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -100.49 -17.7 17.02 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 113.666 170.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.9 mt -84.85 152.47 23.58 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.391 1.477 . . . . 0.0 112.057 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -143.61 151.18 39.85 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.393 2.277 . . . . 0.0 111.513 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.4 p -73.74 162.91 28.64 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.035 1.334 . . . . 0.0 111.513 159.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.11 -35.57 74.21 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.1 -39.88 82.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.583 0.753 . . . . 0.0 113.021 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.34 -23.04 61.09 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.9 mt -78.2 -1.39 32.59 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.562 1.545 . . . . 0.0 113.631 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.41 26.05 71.18 Favored Glycine 0 C--O 1.219 -0.785 0 C-N-CA 124.97 1.271 . . . . 0.0 114.85 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.8 mt -82.21 133.2 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 118.658 1.229 . . . . 0.0 109.933 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -97.42 -39.94 8.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.408 1.483 . . . . 0.0 111.932 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.3 p -157.92 154.42 27.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 38.7 mt -100.1 135.75 41.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.238 1.415 . . . . 0.0 109.122 165.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.39 143.46 30.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 119.046 0.839 . . . . 0.0 112.525 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.85 3.99 26.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.193 1.397 . . . . 0.0 113.957 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.24 135.2 33.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 111.197 162.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -159.05 161.42 36.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.135 1.374 . . . . 0.0 111.461 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -125.42 146.87 49.42 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.564 1.946 . . . . 0.0 110.758 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -74.22 129.59 38.11 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.541 0.736 . . . . 0.0 109.84 171.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.11 -20.79 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.6 m120 48.22 35.77 5.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -91.97 122.47 34.52 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.411 1.484 . . . . 0.0 112.434 -164.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -84.93 138.33 32.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 111.938 -175.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.58 17.78 9.61 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 125.39 1.476 . . . . 0.0 114.572 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.24 172.05 5.43 Favored Glycine 0 C--N 1.333 0.416 0 O-C-N 120.213 -1.555 . . . . 0.0 113.354 -168.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 50.34 32.64 6.53 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.026 1.73 . . . . 0.0 114.319 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 62.58 11.69 36.61 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 117.223 1.649 . . . . 0.0 117.223 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -84.33 138.72 32.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.589 1.195 . . . . 0.0 110.488 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.7 m -139.96 138.17 35.32 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.119 0.968 . . . . 0.0 110.572 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -93.4 108.3 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.772 1.629 . . . . 0.0 108.553 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.19 18.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -129.27 141.99 50.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.812 2.045 . . . . 0.0 109.949 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -137.01 136.2 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 120.113 1.324 . . . . 0.0 113.451 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.79 -148.47 5.48 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 127.673 2.559 . . . . 0.0 111.166 168.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.0 m -139.0 168.72 19.2 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.812 1.245 . . . . 0.0 113.799 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -130.05 156.18 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.287 1.435 . . . . 0.0 110.341 159.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.1 m -116.91 141.11 48.66 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.489 1.515 . . . . 0.0 110.055 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.51 165.56 11.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.113 1.365 . . . . 0.0 113.496 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.1 p -66.23 -14.43 61.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -93.11 1.02 57.39 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.59 1.556 . . . . 0.0 114.933 170.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.9 -0.86 86.63 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 117.835 -1.536 . . . . 0.0 115.495 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 55.7 p -74.77 159.91 31.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 119.835 1.817 . . . . 0.0 112.244 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 48.9 p -124.31 155.55 38.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.813 1.245 . . . . 0.0 111.965 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.86 164.72 32.8 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.996 0.919 . . . . 0.0 111.54 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -71.68 148.95 45.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.097 0.959 . . . . 0.0 112.982 -173.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.4 159.51 43.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.137 0.975 . . . . 0.0 110.724 157.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.53 174.32 46.07 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 121.698 -0.626 . . . . 0.0 114.236 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.78 112.11 23.95 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.821 0.848 . . . . 0.0 111.923 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 67.8 tp -112.52 136.18 52.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.951 2.1 . . . . 0.0 112.024 -169.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.75 126.73 32.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.572 0.749 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.221 -0.419 0 C-N-CA 127.889 2.476 . . . . 0.0 113.153 -169.396 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 9.4 Cg_exo . . . . . 0 N--CA 1.465 -0.153 0 N-CA-C 113.272 0.451 . . . . 0.0 113.272 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.98 132.64 47.67 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.97 150.12 50.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -115.24 133.08 56.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.953 2.101 . . . . 0.0 110.664 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -80.3 105.25 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.384 1.073 . . . . 0.0 110.318 169.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.75 -35.82 29.24 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -165.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -106.29 -2.18 22.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.954 1.301 . . . . 0.0 114.328 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.49 10.84 82.88 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 118.477 -1.18 . . . . 0.0 115.947 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -85.34 -4.4 59.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 120.367 2.083 . . . . 0.0 113.298 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.2 166.06 13.3 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 126.36 1.933 . . . . 0.0 114.396 173.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.35 124.01 33.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.61 146.97 36.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.354 1.462 . . . . 0.0 113.35 -163.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -127.35 162.59 25.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.272 1.429 . . . . 0.0 112.236 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.451 -0.403 0 C-N-CA 126.457 1.903 . . . . 0.0 110.621 173.674 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 121.346 0.594 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.8 137.35 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.535 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -59.67 146.46 41.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.853 0.861 . . . . 0.0 112.67 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.63 -18.23 62.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -78.12 -7.81 57.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.732 1.613 . . . . 0.0 113.568 173.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -113.95 159.18 20.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.053 1.741 . . . . 0.0 113.002 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.63 134.0 11.57 Favored Glycine 0 N--CA 1.446 -0.674 0 O-C-N 121.51 -0.743 . . . . 0.0 113.3 -172.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.8 mt -82.16 129.62 34.87 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 117.689 0.744 . . . . 0.0 108.997 167.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -77.53 126.1 30.36 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.331 0.652 . . . . 0.0 109.854 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.47 166.51 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 124.791 1.236 . . . . 0.0 112.403 -168.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -147.79 138.66 23.32 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.794 1.638 . . . . 0.0 110.89 169.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.59 119.22 24.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.444 0.565 . . . . 0.0 110.868 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.3 mt -94.41 -13.35 26.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.125 1.37 . . . . 0.0 114.548 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -128.42 10.8 6.26 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.4 9.25 85.95 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 116.399 1.319 . . . . 0.0 116.399 167.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -81.96 -2.22 50.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 119.423 1.611 . . . . 0.0 114.447 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.37 6.45 89.25 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.414 1.483 . . . . 0.0 116.084 175.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.0 pt -138.26 166.41 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 C-N-CA 125.848 1.659 . . . . 0.0 112.619 -174.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.8 mm -102.53 114.91 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 125.802 1.641 . . . . 0.0 109.842 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.11 3.89 1.06 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -138.48 138.1 37.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.704 2.001 . . . . 0.0 109.326 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.87 -18.84 19.42 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.36 -14.29 62.14 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -88.37 -17.15 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.857 1.663 . . . . 0.0 113.506 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.17 162.88 23.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.035 1.734 . . . . 0.0 109.694 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 40.0 m-85 -95.17 106.63 18.67 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.234 -1.541 . . . . 0.0 110.761 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.02 -155.23 13.71 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 125.511 1.529 . . . . 0.0 113.085 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -69.4 -10.83 59.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -167.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -75.16 -21.78 58.55 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 120.459 -1.401 . . . . 0.0 112.948 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -74.42 136.43 42.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.316 0.962 . . . . 0.0 112.29 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -98.79 137.03 37.97 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.553 1.541 . . . . 0.0 110.913 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.0 mt -90.98 158.33 16.77 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 127.033 2.133 . . . . 0.0 110.75 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.01 -10.99 55.62 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -88.48 1.92 53.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.859 1.664 . . . . 0.0 113.343 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.08 -8.83 78.94 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.132 1.349 . . . . 0.0 115.575 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -74.65 159.07 32.57 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 118.906 1.353 . . . . 0.0 112.027 172.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.07 154.22 20.36 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 120.731 -1.231 . . . . 0.0 110.728 163.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.71 138.94 55.33 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.023 0.529 . . . . 0.0 111.979 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -80.09 -29.59 39.08 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.978 0.911 . . . . 0.0 112.94 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.31 168.55 25.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.432 1.893 . . . . 0.0 112.038 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.92 -27.4 68.59 Favored Glycine 0 C--N 1.338 0.642 0 C-N-CA 123.843 0.735 . . . . 0.0 114.22 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -69.65 -42.5 74.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.605 1.203 . . . . 0.0 112.514 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.26 80.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.484 1.038 . . . . 0.0 112.587 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.28 96.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.666 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.04 -35.43 56.87 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.182 -0.949 . . . . 0.0 113.216 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.26 -16.03 61.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -62.85 -24.5 67.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 121.134 -0.979 . . . . 0.0 113.455 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.5 mt -93.32 -9.42 38.93 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -166.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.28 119.53 11.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 118.509 0.595 . . . . 0.0 109.529 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -93.62 -27.65 16.47 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -109.62 -12.13 14.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.82 46.79 9.2 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-N 119.276 0.944 . . . . 0.0 114.141 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -104.55 2.88 31.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.612 1.565 . . . . 0.0 112.788 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t30 62.02 25.84 15.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.886 2.074 . . . . 0.0 114.307 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.3 pt -132.24 153.44 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.9 mm -100.27 117.54 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 166.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -144.67 172.73 12.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.556 1.542 . . . . 0.0 111.208 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.57 -15.35 26.86 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.51 -12.99 59.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -85.3 133.52 34.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 120.272 -1.518 . . . . 0.0 111.424 164.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.26 68.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.732 -1.23 . . . . 0.0 113.913 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.95 -23.23 67.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.18 -29.48 68.72 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 120.362 1.437 . . . . 0.0 113.529 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.36 -17.52 48.78 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.502 1.121 . . . . 0.0 113.915 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -95.48 -27.33 15.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.601 1.56 . . . . 0.0 113.441 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.86 142.38 58.28 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.513 1.125 . . . . 0.0 111.529 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -138.96 164.55 29.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.597 1.959 . . . . 0.0 109.985 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.92 129.9 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.84 1.256 . . . . 0.0 108.625 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -118.69 134.09 55.38 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.427 1.091 . . . . 0.0 112.847 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -121.86 114.82 21.58 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.327 1.851 . . . . 0.0 110.52 174.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -78.51 75.5 5.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.767 -1.208 . . . . 0.0 111.807 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.1 -44.49 67.66 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.127 1.371 . . . . 0.0 114.04 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -89.4 -7.95 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.981 1.312 . . . . 0.0 114.43 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 55.57 56.72 5.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.577 1.551 . . . . 0.0 112.85 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 p30 -94.79 -9.17 35.35 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 120.009 -1.682 . . . . 0.0 113.301 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.68 2.19 90.61 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.652 1.12 . . . . 0.0 114.26 -173.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.02 145.01 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 126.695 1.998 . . . . 0.0 109.996 -169.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 134.84 37.22 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.296 1.038 . . . . 0.0 111.272 174.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -130.35 145.14 51.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.703 1.601 . . . . 0.0 108.341 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.71 -27.52 67.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -166.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -67.47 -17.65 64.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -89.84 -7.95 53.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.867 1.667 . . . . 0.0 114.327 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -87.13 152.66 22.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.028 0.931 . . . . 0.0 110.389 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -136.01 148.03 48.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.257 2.223 . . . . 0.0 110.944 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.7 p -68.52 161.12 28.53 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.699 1.2 . . . . 0.0 111.054 164.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.36 -38.57 84.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.764 -0.585 . . . . 0.0 110.495 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -63.27 -42.44 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.251 1.42 . . . . 0.0 112.859 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.94 -14.37 60.63 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.0 6.58 45.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.496 1.519 . . . . 0.0 112.643 168.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.02 15.8 76.48 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 124.271 0.938 . . . . 0.0 115.264 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.6 mt -78.69 132.61 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 118.687 1.243 . . . . 0.0 109.304 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -99.22 -41.42 7.49 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.561 1.544 . . . . 0.0 111.474 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 99.8 p -158.34 161.12 37.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.533 1.133 . . . . 0.0 112.857 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.5 mt -110.91 139.19 46.44 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 126.344 1.858 . . . . 0.0 109.1 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -89.38 136.98 32.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.528 0.731 . . . . 0.0 111.38 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.08 -8.2 46.51 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.62 137.52 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 111.287 168.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -147.02 168.8 20.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.35 1.06 . . . . 0.0 112.127 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -121.14 132.93 55.14 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.924 2.09 . . . . 0.0 109.766 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -69.23 130.44 42.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 122.729 0.412 . . . . 0.0 110.963 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m -137.54 -34.42 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.35 44.16 12.39 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 114.426 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -73.81 118.36 16.68 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.732 1.213 . . . . 0.0 111.614 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.45 120.42 20.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.414 1.086 . . . . 0.0 112.476 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.4 -1.57 21.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -171.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 83.69 168.04 42.95 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 125.121 1.343 . . . . 0.0 114.5 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 49.02 31.17 3.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 127.226 2.211 . . . . 0.0 114.286 -176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.03 16.12 80.9 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 125.796 1.665 . . . . 0.0 115.929 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -99.0 147.24 25.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.47 1.635 . . . . 0.0 112.119 170.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -142.94 139.95 30.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.202 1.401 . . . . 0.0 109.324 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.0 101.45 12.93 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.12 0.968 . . . . 0.0 108.611 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.08 -54.09 6.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.591 0.756 . . . . 0.0 113.017 -170.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -127.46 138.85 53.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 108.504 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.39 138.18 52.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.875 1.27 . . . . 0.0 111.499 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -151.42 -155.41 6.96 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 125.739 1.638 . . . . 0.0 111.778 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.8 p -134.99 165.86 24.37 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -135.38 156.82 48.3 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.609 1.964 . . . . 0.0 110.345 165.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.7 m -114.67 133.83 55.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.824 0.85 . . . . 0.0 109.838 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.75 154.5 17.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 125.494 1.518 . . . . 0.0 111.624 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -66.08 -22.43 66.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.473 -1.392 . . . . 0.0 113.482 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -77.36 2.04 17.12 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.44 85.05 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 116.738 1.455 . . . . 0.0 116.738 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 59.6 m -70.42 143.38 51.85 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.725 1.262 . . . . 0.0 111.498 172.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 7.4 m -105.46 135.69 46.39 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.911 1.285 . . . . 0.0 108.98 168.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -137.22 162.65 32.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.49 1.516 . . . . 0.0 111.495 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -97.43 144.7 26.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.696 1.198 . . . . 0.0 113.854 -165.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.2 ptm -150.07 167.54 26.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.676 1.191 . . . . 0.0 111.949 172.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.36 -179.1 47.59 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.048 -1.033 . . . . 0.0 114.623 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -92.27 104.77 17.09 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.596 1.158 . . . . 0.0 110.331 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.96 121.33 32.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.904 1.282 . . . . 0.0 110.605 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.01 121.17 23.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.939 0.496 . . . . 0.0 112.132 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.238 0.478 0 C-N-CA 127.995 2.518 . . . . 0.0 112.169 -174.676 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 28.7 Cg_exo . . . . . 0 C--O 1.237 0.458 0 CA-C-O 119.106 -0.456 . . . . 0.0 112.762 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.1 128.21 35.34 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 118.877 0.762 . . . . 0.0 112.137 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.73 151.38 48.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.752 2.021 . . . . 0.0 112.025 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -121.77 140.38 52.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.726 2.01 . . . . 0.0 110.69 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -82.07 103.25 11.56 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 111.341 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt -91.94 -18.81 23.18 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -109.96 -2.05 17.35 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 120.932 1.697 . . . . 0.0 114.606 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.46 24.01 25.01 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 164.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -128.05 19.64 6.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.746 1.619 . . . . 0.0 114.033 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.81 156.41 32.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 125.551 1.548 . . . . 0.0 114.87 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.3 134.74 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 121.32 -1.106 . . . . 0.0 111.171 -172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -125.23 153.38 43.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.68 1.592 . . . . 0.0 114.283 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -131.88 163.69 27.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.962 1.305 . . . . 0.0 113.21 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.449 -0.488 0 C-N-CA 128.072 2.549 . . . . 0.0 110.887 -177.562 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.77 135.95 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 124.934 1.294 . . . . 0.0 110.864 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -59.92 145.85 44.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.142 -0.973 . . . . 0.0 112.78 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.75 -17.04 62.63 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -77.19 -11.77 59.86 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 119.972 1.26 . . . . 0.0 113.693 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -118.46 -172.69 2.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.956 3.302 . . . . 0.0 111.889 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.77 165.45 37.53 Favored Glycine 0 N--CA 1.448 -0.522 0 O-C-N 120.576 -1.327 . . . . 0.0 116.066 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.9 mt -100.66 132.34 46.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.106 2.162 . . . . 0.0 112.258 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -76.32 130.43 38.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 119.737 1.153 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.61 167.68 4.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 125.149 1.379 . . . . 0.0 112.524 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -147.62 130.62 16.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 109.616 166.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -74.03 124.2 25.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.897 0.879 . . . . 0.0 110.674 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.09 -0.8 43.77 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.441 1.496 . . . . 0.0 114.524 -175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -138.78 3.31 2.25 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.37 12.85 83.88 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 120.625 -1.297 . . . . 0.0 115.909 167.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -75.81 -9.47 58.62 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 119.363 1.581 . . . . 0.0 114.026 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.07 5.68 82.9 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 126.313 1.911 . . . . 0.0 114.801 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -124.05 149.83 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 127.495 2.318 . . . . 0.0 109.97 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.61 106.19 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.355 . . . . 0.0 108.896 168.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -137.12 0.92 2.4 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -165.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -133.91 145.98 50.11 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.828 1.651 . . . . 0.0 109.646 169.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.99 -27.67 65.05 Favored Glycine 0 N--CA 1.447 -0.614 0 O-C-N 120.927 -1.108 . . . . 0.0 114.245 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -16.12 44.37 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.39 -15.25 43.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.908 1.283 . . . . 0.0 113.176 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.31 143.26 28.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.646 1.578 . . . . 0.0 110.276 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 89.6 m-85 -80.67 105.45 11.92 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.009 -1.057 . . . . 0.0 110.164 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.66 178.2 31.55 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.808 1.194 . . . . 0.0 114.415 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.44 150.0 44.69 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 121.378 -1.072 . . . . 0.0 111.985 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.58 16.75 6.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.557 2.343 . . . . 0.0 115.146 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -67.76 125.39 26.08 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.736 -1.227 . . . . 0.0 109.386 168.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -84.86 133.73 34.3 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 124.212 1.005 . . . . 0.0 111.72 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -105.95 166.02 10.78 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 127.087 2.155 . . . . 0.0 111.708 -165.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.32 -18.81 64.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -93.9 7.38 45.22 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.953 1.301 . . . . 0.0 113.633 172.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.46 -7.44 78.94 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 126.596 2.046 . . . . 0.0 115.763 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.6 m -72.29 163.89 27.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 118.678 1.239 . . . . 0.0 112.832 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -113.83 136.72 52.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.82 131.7 42.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 113.283 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -64.23 -30.3 71.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 174.97 12.44 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 127.493 2.317 . . . . 0.0 110.777 177.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.21 -32.04 75.25 Favored Glycine 0 C--N 1.341 0.82 0 O-C-N 121.209 -0.932 . . . . 0.0 115.377 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.498 1.149 . . . . 0.0 112.136 173.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 -31.25 71.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.887 0.767 . . . . 0.0 112.666 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.22 89.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.729 0.695 . . . . 0.0 111.85 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 tp -74.01 -33.73 63.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.038 0.935 . . . . 0.0 112.924 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.74 -16.7 63.34 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.393 1.477 . . . . 0.0 114.972 -173.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.75 -13.93 60.31 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.73 1.212 . . . . 0.0 114.183 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.16 -2.89 54.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -71.33 117.67 13.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 118.786 0.721 . . . . 0.0 109.674 170.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -90.83 -27.62 18.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -168.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -110.97 -16.47 13.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.041 1.736 . . . . 0.0 113.813 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.07 74.77 0.95 Allowed Glycine 0 C--N 1.334 0.429 0 C-N-CA 123.908 0.766 . . . . 0.0 112.714 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -135.49 8.41 3.36 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.025 1.33 . . . . 0.0 114.366 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 70.54 6.73 5.94 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 127.394 2.278 . . . . 0.0 115.821 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.9 pt -129.82 147.49 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 122.838 1.304 . . . . 0.0 112.978 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -97.3 114.85 35.46 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 167.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -144.86 169.1 18.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 111.642 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.56 -20.45 55.77 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -171.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.62 61.35 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 172.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -75.41 131.72 40.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 120.078 1.308 . . . . 0.0 111.963 172.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.6 66.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.96 -18.91 49.21 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.36 -40.97 88.16 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.384 -1.448 . . . . 0.0 113.809 -169.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -68.09 -15.22 63.5 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -92.82 -9.52 40.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.002 1.721 . . . . 0.0 114.379 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.99 147.32 51.79 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.729 1.15 . . . . 0.0 111.073 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -141.99 165.37 27.65 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.428 1.891 . . . . 0.0 110.375 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 51.6 t -121.94 121.77 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.934 0.893 . . . . 0.0 109.697 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -91.4 122.0 33.62 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.675 1.19 . . . . 0.0 111.14 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -118.38 99.76 7.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.095 1.358 . . . . 0.0 109.755 171.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.57 105.46 10.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.589 -0.694 . . . . 0.0 111.342 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.92 -29.76 67.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.568 0.747 . . . . 0.0 112.995 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -79.55 -8.32 59.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.286 1.034 . . . . 0.0 112.246 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 57.08 27.01 12.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.131 2.172 . . . . 0.0 113.267 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.58 -15.87 15.19 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.03 17.5 77.17 Favored Glycine 0 C--O 1.219 -0.783 0 CA-C-N 118.889 0.768 . . . . 0.0 113.681 -174.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.5 mm -97.38 104.23 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 170.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.2 t -70.13 133.92 47.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -171.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -123.61 152.43 41.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.962 1.305 . . . . 0.0 110.391 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -21.06 66.44 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -71.79 -24.18 61.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.478 1.111 . . . . 0.0 113.879 172.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -81.58 -5.64 58.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -171.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.09 123.9 36.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.521 1.128 . . . . 0.0 110.876 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -96.19 150.47 20.49 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.647 1.979 . . . . 0.0 110.799 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.6 p -72.62 159.08 34.45 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 123.173 0.589 . . . . 0.0 111.648 161.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.286 0.634 . . . . 0.0 110.683 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.75 -43.88 97.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.378 1.071 . . . . 0.0 112.472 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.16 -13.48 60.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.78 0.09 56.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.062 1.345 . . . . 0.0 113.095 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.34 24.49 76.66 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 125.143 1.354 . . . . 0.0 114.385 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.3 mt -83.3 124.23 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 124.39 1.076 . . . . 0.0 108.702 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -100.86 -41.98 6.63 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.25 1.02 . . . . 0.0 112.345 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.9 p -156.28 161.94 40.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.242 1.017 . . . . 0.0 112.517 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.2 mp -126.78 132.97 50.93 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.96 144.95 45.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 119.356 0.98 . . . . 0.0 112.558 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.4 mt -90.09 9.45 28.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.567 1.147 . . . . 0.0 113.625 163.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -99.88 132.62 45.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.963 2.505 . . . . 0.0 112.219 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -153.24 163.25 40.22 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.962 1.305 . . . . 0.0 112.973 -171.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -135.32 142.43 45.81 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.764 1.626 . . . . 0.0 111.578 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.1 133.31 46.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.747 1.619 . . . . 0.0 111.794 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.13 -21.37 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 125.414 1.486 . . . . 0.0 114.08 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 46.67 40.41 8.55 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 126.068 1.747 . . . . 0.0 114.646 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.81 122.09 32.56 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.537 1.535 . . . . 0.0 112.021 -162.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -72.1 128.65 36.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 122.557 0.343 . . . . 0.0 111.365 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.08 1.43 24.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 88.5 169.59 45.04 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 126.016 1.769 . . . . 0.0 113.953 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 48.19 34.19 4.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.574 1.95 . . . . 0.0 113.857 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.32 6.88 88.8 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 125.516 1.532 . . . . 0.0 116.407 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -96.94 145.27 26.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.324 1.562 . . . . 0.0 112.407 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.1 m -136.87 129.52 30.37 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.861 0.864 . . . . 0.0 112.874 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.6 tt -81.59 112.46 18.82 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.08 0.952 . . . . 0.0 108.757 167.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.33 -59.71 2.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.423 -0.798 . . . . 0.0 112.502 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.96 142.6 47.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.01 1.324 . . . . 0.0 112.864 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -122.1 144.33 48.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.57 1.948 . . . . 0.0 112.268 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.6 -146.6 4.64 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 128.552 2.977 . . . . 0.0 111.119 170.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.3 m -145.24 164.81 30.23 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -121.9 152.76 39.28 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.192 1.797 . . . . 0.0 110.957 163.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.3 m -106.95 135.19 48.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.276 1.83 . . . . 0.0 110.499 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -103.25 159.67 15.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.594 1.558 . . . . 0.0 114.542 -173.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 44.1 p -63.96 -24.29 67.67 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.725 1.61 . . . . 0.0 114.074 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -79.86 2.99 21.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.071 1.748 . . . . 0.0 114.924 172.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.56 8.21 86.43 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 125.485 1.517 . . . . 0.0 116.153 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.1 p -98.95 172.75 7.22 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.205 1.503 . . . . 0.0 112.781 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.8 p -114.76 157.83 22.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.814 1.646 . . . . 0.0 111.521 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.27 157.76 43.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.995 1.318 . . . . 0.0 111.304 168.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -78.91 147.67 32.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -171.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -149.89 162.59 40.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.72 1.608 . . . . 0.0 110.474 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.84 173.58 46.14 Favored Glycine 0 N--CA 1.444 -0.825 0 O-C-N 121.362 -0.836 . . . . 0.0 114.798 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -82.09 119.83 24.53 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 117.964 0.882 . . . . 0.0 110.264 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 20.1 tp -117.29 117.69 30.23 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.777 1.631 . . . . 0.0 110.397 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 37.3 mt -78.64 116.1 18.78 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.736 1.614 . . . . 0.0 108.745 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 124.533 1.133 . . . . 0.0 110.829 -175.124 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.466 -0.141 0 N-CA-C 113.016 0.352 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.15 126.78 28.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.93 153.77 39.26 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.1 2.56 . . . . 0.0 111.768 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -133.71 140.99 47.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.322 1.449 . . . . 0.0 111.511 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.96 127.14 36.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.899 1.679 . . . . 0.0 110.891 167.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.94 -29.62 18.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -104.06 -5.09 22.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.31 12.8 66.91 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.91 1.232 . . . . 0.0 115.038 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -115.65 2.55 13.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.778 2.031 . . . . 0.0 114.268 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.2 160.54 27.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 126.466 1.984 . . . . 0.0 115.453 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -84.02 132.25 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 124.925 1.29 . . . . 0.0 110.765 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.45 169.56 11.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 126.966 2.106 . . . . 0.0 112.273 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -130.75 165.82 22.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.449 -0.482 0 C-N-CA 125.484 1.514 . . . . 0.0 111.91 175.113 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.0 m -91.73 155.39 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.988 2.915 . . . . 0.0 113.326 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.42 156.68 1.69 Allowed 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 120.513 -1.367 . . . . 0.0 113.291 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -19.94 58.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -91.87 -7.12 50.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.851 1.66 . . . . 0.0 113.71 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -116.97 176.69 5.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 127.18 2.192 . . . . 0.0 110.658 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.31 170.98 35.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 120.481 -1.387 . . . . 0.0 115.658 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.05 150.05 26.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 112.28 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -77.9 129.12 34.97 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 110.493 168.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.4 172.07 9.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.34 1.056 . . . . 0.0 112.256 -174.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -150.02 145.7 26.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.455 1.502 . . . . 0.0 110.964 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -96.04 120.23 35.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.745 0.702 . . . . 0.0 109.862 168.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.4 -4.24 42.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.361 1.464 . . . . 0.0 114.556 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -138.84 11.57 2.67 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.44 21.0 72.15 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 115.965 1.146 . . . . 0.0 115.965 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -88.7 -2.48 58.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.837 1.318 . . . . 0.0 114.555 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.7 0.33 89.2 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 126.603 2.049 . . . . 0.0 115.936 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.0 pt -137.02 167.23 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 125.726 1.611 . . . . 0.0 112.887 -173.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 36.2 mm -93.81 123.48 45.93 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 C-N-CA 126.057 1.743 . . . . 0.0 108.864 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.32 -20.07 0.15 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -103.24 147.4 27.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.85 1.204 . . . . 0.0 112.371 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.29 -20.67 51.46 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 124.949 1.261 . . . . 0.0 115.965 -174.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.48 1.83 54.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.012 1.406 . . . . 0.0 114.364 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.15 -13.53 38.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -170.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.4 mt -98.82 156.59 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.952 1.701 . . . . 0.0 110.44 162.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 72.2 m-85 -101.77 106.68 17.71 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.077 0.951 . . . . 0.0 110.605 176.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 -175.14 28.28 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.302 0.501 . . . . 0.0 114.332 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.74 158.3 13.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.311 -0.523 . . . . 0.0 111.423 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 61.53 4.11 0.94 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.568 1.947 . . . . 0.0 115.712 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -67.11 128.78 37.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.304 -1.497 . . . . 0.0 110.595 170.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -77.64 138.21 38.98 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.222 0.609 . . . . 0.0 111.69 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.2 mt -107.14 167.61 9.79 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 127.326 2.25 . . . . 0.0 111.431 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.66 -31.73 71.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -167.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -79.14 -1.28 35.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 114.038 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 7.43 84.13 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 124.279 0.942 . . . . 0.0 115.189 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -79.53 169.54 17.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 118.823 1.311 . . . . 0.0 112.215 166.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -125.0 140.1 53.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.809 1.244 . . . . 0.0 110.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.94 138.3 47.98 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.37 1.068 . . . . 0.0 113.453 -174.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -78.91 -25.49 43.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.14 1.376 . . . . 0.0 114.315 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -159.88 170.79 20.67 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.882 2.073 . . . . 0.0 110.986 173.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.86 -30.16 74.41 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.6 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -66.7 -40.89 88.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.854 1.327 . . . . 0.0 112.06 173.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.73 -26.26 66.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.01 0.823 . . . . 0.0 113.16 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.43 67.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 tp -80.41 -34.93 35.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.236 1.014 . . . . 0.0 113.262 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -14.85 61.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -62.21 -25.41 67.78 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.088 0.955 . . . . 0.0 113.27 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt -88.24 -3.73 58.82 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -72.87 125.55 27.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.209 0.913 . . . . 0.0 110.858 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.0 m -90.33 -34.81 15.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -110.43 -1.87 16.86 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.338 1.455 . . . . 0.0 114.746 -171.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.02 33.56 45.08 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 120.028 1.286 . . . . 0.0 115.115 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -95.08 -5.38 44.41 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.905 1.353 . . . . 0.0 113.303 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.6 t30 63.88 31.71 13.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.127 2.171 . . . . 0.0 114.366 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.93 153.8 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 125.476 1.51 . . . . 0.0 111.308 164.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.07 115.15 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 124.846 1.258 . . . . 0.0 108.804 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.24 170.55 18.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 111.674 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.65 60.39 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -165.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.19 60.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.571 -1.331 . . . . 0.0 113.94 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.21 135.36 44.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.264 1.026 . . . . 0.0 111.566 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.42 67.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -165.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.73 -15.65 47.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.12 -40.27 73.48 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -161.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.62 -10.12 59.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 119.637 1.108 . . . . 0.0 113.978 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.8 m -78.97 -23.82 44.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.718 1.607 . . . . 0.0 112.718 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 154.62 40.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.94 1.696 . . . . 0.0 112.264 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.1 mmt-85 -142.23 168.49 19.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.887 2.075 . . . . 0.0 111.022 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.46 143.09 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.889 1.676 . . . . 0.0 108.916 166.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -119.99 129.85 54.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.342 1.057 . . . . 0.0 110.85 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.71 129.04 50.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.283 1.433 . . . . 0.0 107.923 166.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.61 87.17 6.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.159 0.891 . . . . 0.0 110.336 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.44 -17.54 63.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -162.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -111.74 -4.18 14.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.898 1.679 . . . . 0.0 114.311 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 51.27 49.74 20.43 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 114.125 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -85.26 -19.0 32.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.169 -0.957 . . . . 0.0 112.453 173.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.58 16.55 58.39 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.869 1.224 . . . . 0.0 114.118 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.3 mt -137.8 141.92 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 126.902 2.081 . . . . 0.0 109.011 -170.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.9 p -92.54 148.52 22.02 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.875 -1.141 . . . . 0.0 112.868 171.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -135.13 159.51 41.31 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.944 1.298 . . . . 0.0 110.614 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.83 -31.79 66.98 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -167.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -83.85 -20.17 33.6 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.516 1.053 . . . . 0.0 113.173 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -14.54 58.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.275 1.43 . . . . 0.0 113.693 -169.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.3 mt -83.85 132.7 34.78 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.051 -1.031 . . . . 0.0 110.932 170.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -114.98 150.18 36.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.425 1.89 . . . . 0.0 112.032 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 46.4 p -78.22 161.67 27.13 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.862 1.265 . . . . 0.0 112.294 168.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.96 -42.84 84.53 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.789 -0.569 . . . . 0.0 111.139 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.35 -36.79 77.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.27 -21.81 62.93 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.0 mt -90.59 1.65 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.919 1.688 . . . . 0.0 113.317 170.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.83 24.83 73.32 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 124.739 1.162 . . . . 0.0 115.306 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.0 mt -85.65 128.17 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 118.853 1.327 . . . . 0.0 108.883 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -102.04 -42.09 6.21 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.667 1.587 . . . . 0.0 112.559 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.6 p -158.6 156.45 30.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.306 0.957 . . . . 0.0 112.708 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 mt -107.65 135.87 48.36 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.669 1.188 . . . . 0.0 109.562 174.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -86.23 130.92 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.567 0.747 . . . . 0.0 110.918 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -87.14 -6.24 58.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -88.92 151.54 22.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.748 1.219 . . . . 0.0 112.506 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -155.59 168.74 26.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 125.179 1.391 . . . . 0.0 113.175 -171.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -133.11 141.28 48.08 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.84 1.656 . . . . 0.0 110.671 166.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.89 138.18 52.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.287 1.035 . . . . 0.0 111.339 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.46 -23.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 126.839 2.056 . . . . 0.0 114.074 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.5 m120 47.71 36.1 5.28 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 127.457 2.303 . . . . 0.0 114.925 174.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -91.72 134.1 35.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.119 1.767 . . . . 0.0 111.801 -163.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.06 129.17 39.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.653 -0.654 . . . . 0.0 110.609 171.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.74 14.21 31.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 173.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.92 170.31 42.84 Favored Glycine 0 C--N 1.339 0.747 0 C-N-CA 124.687 1.137 . . . . 0.0 114.035 -170.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 52.48 24.74 3.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.871 1.668 . . . . 0.0 115.347 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.98 76.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 125.515 1.531 . . . . 0.0 116.031 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -99.05 144.39 28.25 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 119.121 1.46 . . . . 0.0 112.532 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.1 m -127.97 117.55 21.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.328 1.051 . . . . 0.0 112.227 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.23 103.85 6.46 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.549 0.74 . . . . 0.0 109.092 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.26 -50.86 35.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 122.141 -0.349 . . . . 0.0 111.352 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -142.51 144.7 33.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.913 1.285 . . . . 0.0 111.538 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -127.24 147.02 50.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.582 1.553 . . . . 0.0 111.694 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.81 7.82 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 127.512 2.482 . . . . 0.0 110.444 172.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 89.6 p -124.48 168.26 13.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -134.54 160.49 37.89 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 124.873 1.269 . . . . 0.0 110.312 161.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.5 m -112.35 139.93 47.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 125.663 1.585 . . . . 0.0 111.449 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -102.0 163.49 12.22 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.218 1.807 . . . . 0.0 113.851 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.9 p -66.83 -12.34 58.71 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.652 1.981 . . . . 0.0 114.867 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -96.79 6.43 48.7 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.963 1.705 . . . . 0.0 114.302 167.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.71 -5.63 77.61 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 125.806 1.669 . . . . 0.0 115.725 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.8 p -80.4 173.8 12.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 120.067 1.933 . . . . 0.0 112.612 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 78.6 p -129.99 164.96 23.15 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.515 1.126 . . . . 0.0 112.403 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.66 170.9 18.07 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.725 1.61 . . . . 0.0 110.816 165.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -75.85 148.23 38.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.2 ptm -141.31 165.1 28.44 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.812 1.645 . . . . 0.0 109.761 162.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.28 171.31 44.31 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 120.913 -1.117 . . . . 0.0 114.358 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.49 111.03 20.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.428 0.633 . . . . 0.0 110.412 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 43.7 tp -104.52 111.09 23.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.893 1.677 . . . . 0.0 110.772 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.9 mt -77.21 122.08 24.55 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.551 1.54 . . . . 0.0 109.401 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.448 -0.573 0 C-N-CA 124.262 1.025 . . . . 0.0 111.354 -167.432 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.214 0 N-CA-C 113.008 0.349 . . . . 0.0 113.008 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -59.79 118.93 6.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.97 0.508 . . . . 0.0 111.641 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.37 147.77 31.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.938 2.095 . . . . 0.0 110.638 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.27 134.34 55.12 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.588 1.955 . . . . 0.0 109.335 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.72 107.32 7.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 109.112 163.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.01 -10.26 50.92 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.896 -0.503 . . . . 0.0 112.233 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.73 -19.23 20.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 29.81 27.77 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.52 1.057 . . . . 0.0 114.42 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -143.42 23.84 1.78 Allowed 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.443 1.497 . . . . 0.0 114.965 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.78 168.07 43.06 Favored Glycine 0 CA--C 1.526 0.72 0 O-C-N 120.643 -1.286 . . . . 0.0 114.502 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -82.19 135.46 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 124.885 1.274 . . . . 0.0 110.76 -171.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.93 163.52 32.67 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.903 1.281 . . . . 0.0 113.921 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 p -131.73 166.46 21.47 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.362 1.465 . . . . 0.0 113.157 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 126.082 1.753 . . . . 0.0 112.77 -178.169 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.2 136.63 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.289 1.436 . . . . 0.0 110.391 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 t -61.49 153.19 28.04 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.195 0.998 . . . . 0.0 113.101 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.77 -23.85 67.53 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -174.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.41 -9.66 59.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.848 1.259 . . . . 0.0 113.566 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -120.33 179.04 4.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 128.252 2.621 . . . . 0.0 111.691 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.69 178.46 33.99 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 120.554 -1.341 . . . . 0.0 115.795 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 mt -115.16 135.7 53.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.854 1.662 . . . . 0.0 110.994 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.2 tp -77.2 126.9 31.69 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.037 0.935 . . . . 0.0 110.483 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.66 162.09 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.294 1.038 . . . . 0.0 112.62 -169.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -148.29 118.94 7.48 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.445 1.498 . . . . 0.0 109.47 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -80.95 111.28 17.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.481 -0.762 . . . . 0.0 110.855 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.81 -6.92 44.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.364 1.466 . . . . 0.0 113.88 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -126.65 11.47 7.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.45 27.91 73.01 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 115.929 1.132 . . . . 0.0 115.929 162.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -96.94 -6.7 34.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.3 2.47 76.98 Favored Glycine 0 C--N 1.34 0.789 0 C-N-CA 126.011 1.767 . . . . 0.0 115.836 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 pt -136.74 165.22 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 125.87 1.668 . . . . 0.0 112.17 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.5 mm -105.42 106.87 21.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 C-N-CA 125.185 1.394 . . . . 0.0 109.787 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -148.7 12.82 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -166.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -128.13 138.13 52.39 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.614 1.166 . . . . 0.0 109.056 160.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.49 -14.15 40.8 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.464 -1.186 . . . . 0.0 116.051 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.46 50.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.515 1.658 . . . . 0.0 114.011 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -73.1 -22.02 60.64 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.515 1.526 . . . . 0.0 113.292 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.61 129.44 34.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.306 1.042 . . . . 0.0 108.878 162.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 69.6 m-85 -67.54 107.8 2.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.498 0.59 . . . . 0.0 110.116 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.67 -169.84 36.44 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 121.901 0.723 . . . . 0.0 113.145 -170.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -68.71 3.13 2.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -113.46 0.08 14.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.836 1.254 . . . . 0.0 113.635 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -80.18 141.69 35.43 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.184 1.394 . . . . 0.0 111.246 169.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -90.31 148.19 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.575 1.15 . . . . 0.0 112.54 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 179.77 5.45 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 127.865 2.466 . . . . 0.0 111.39 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -13.32 62.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -168.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -98.42 0.7 45.81 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.686 -1.259 . . . . 0.0 113.485 170.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.09 84.15 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 126.189 1.852 . . . . 0.0 115.391 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 m -71.81 146.89 47.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 120.193 1.996 . . . . 0.0 111.468 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.23 137.2 39.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 121.398 -0.814 . . . . 0.0 111.982 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.32 144.18 53.6 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.382 1.073 . . . . 0.0 112.972 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -71.81 -27.69 63.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.01 173.27 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.642 1.977 . . . . 0.0 111.232 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.13 73.78 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.699 1.142 . . . . 0.0 114.82 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.88 -33.02 71.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.405 1.103 . . . . 0.0 112.96 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -41.31 73.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.399 0.999 . . . . 0.0 110.814 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.95 82.71 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.015 0.926 . . . . 0.0 113.483 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.2 tp -79.47 -38.88 33.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.76 -21.74 66.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -175.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.16 -21.47 66.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.3 mt -87.85 -0.49 57.03 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -76.92 91.19 3.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.176 1.39 . . . . 0.0 111.375 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -64.38 -26.82 68.63 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -107.06 -16.67 14.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.376 1.47 . . . . 0.0 114.538 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.2 54.94 4.54 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-N 119.754 1.161 . . . . 0.0 113.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -110.22 -0.37 17.83 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.708 1.603 . . . . 0.0 113.215 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.253 2.2 t30 71.44 21.84 4.41 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.947 2.099 . . . . 0.0 114.781 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.81 154.74 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 125.326 1.451 . . . . 0.0 112.31 166.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.81 117.39 49.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 C-N-CA 125.073 1.349 . . . . 0.0 109.542 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -152.77 168.36 25.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.328 1.851 . . . . 0.0 112.665 -169.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.82 -14.47 15.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.99 -20.02 56.58 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -75.24 140.55 43.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.953 1.301 . . . . 0.0 112.796 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.58 -26.82 66.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -165.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.25 -15.38 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.062 1.345 . . . . 0.0 114.402 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.85 -38.03 69.53 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.612 1.551 . . . . 0.0 114.887 -164.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -73.22 -9.71 59.0 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.0 p -86.49 -8.13 57.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.56 142.91 42.65 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.743 -1.223 . . . . 0.0 112.263 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -143.2 166.78 23.76 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.441 1.897 . . . . 0.0 110.723 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -121.84 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 C-N-CA 124.236 1.015 . . . . 0.0 109.118 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -106.47 121.08 43.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 125.35 1.46 . . . . 0.0 110.548 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -116.84 99.09 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.333 1.453 . . . . 0.0 108.301 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -70.56 112.66 6.98 Favored 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.875 -0.515 . . . . 0.0 110.925 -173.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.35 -15.52 57.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.56 6.29 18.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.868 1.267 . . . . 0.0 113.936 167.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 51.29 43.0 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 127.959 2.504 . . . . 0.0 114.543 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -102.43 -17.28 15.89 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.37 24.82 67.26 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 119.726 1.148 . . . . 0.0 114.755 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -108.33 125.68 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 C-N-CA 125.528 1.531 . . . . 0.0 107.965 166.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 t -87.83 131.9 34.37 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.485 1.038 . . . . 0.0 113.519 -167.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -132.43 151.76 51.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.561 1.544 . . . . 0.0 111.057 171.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -25.75 68.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 115.656 1.725 . . . . 0.0 115.656 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -66.12 -17.79 64.94 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.37 -8.16 39.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.286 1.834 . . . . 0.0 113.396 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.94 152.11 20.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.363 1.465 . . . . 0.0 111.341 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -143.27 154.6 43.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.818 2.047 . . . . 0.0 111.754 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.2 p -78.74 167.12 21.66 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.426 164.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.75 -42.05 67.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 121.488 -0.758 . . . . 0.0 112.03 173.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.46 -42.03 98.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.107 0.963 . . . . 0.0 112.813 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.63 -24.18 64.52 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 120.85 -1.156 . . . . 0.0 112.748 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.5 0.38 56.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.567 1.547 . . . . 0.0 113.587 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.13 24.0 71.65 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.478 1.037 . . . . 0.0 114.379 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.0 mt -85.64 127.9 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.552 1.176 . . . . 0.0 108.263 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -107.49 -44.81 4.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.606 0.762 . . . . 0.0 112.536 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.3 p -155.05 158.41 39.04 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 119.044 0.838 . . . . 0.0 112.322 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.94 139.7 52.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.894 1.278 . . . . 0.0 110.579 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.57 135.35 34.15 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.054 0.942 . . . . 0.0 112.298 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.5 mt -95.56 0.02 52.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.94 137.46 33.09 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 121.162 -0.961 . . . . 0.0 111.647 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -150.19 173.19 14.2 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.539 1.136 . . . . 0.0 112.496 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -126.24 137.76 53.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 127.821 2.448 . . . . 0.0 109.727 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.35 127.93 34.19 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.665 0.786 . . . . 0.0 110.864 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.44 -30.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -173.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 44.42 46.19 7.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.486 1.914 . . . . 0.0 115.168 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.9 120.57 31.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.147 1.779 . . . . 0.0 111.713 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -72.62 113.63 9.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.036 -1.04 . . . . 0.0 110.34 170.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 17.2 mt -83.79 -22.24 31.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 108.59 175.72 21.77 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 125.434 1.493 . . . . 0.0 113.607 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 53.22 31.77 12.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 113.399 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.75 2.14 86.85 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.733 2.111 . . . . 0.0 116.005 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -108.71 144.12 36.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 120.087 1.944 . . . . 0.0 113.722 -170.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 96.1 m -141.0 124.79 16.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.591 1.156 . . . . 0.0 111.917 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 18.8 tp -87.76 110.25 20.32 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.802 1.641 . . . . 0.0 110.239 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.54 8.34 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -127.62 145.34 50.91 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.09 1.756 . . . . 0.0 110.098 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -135.96 141.39 44.45 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.598 1.159 . . . . 0.0 113.134 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.33 -150.78 5.37 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 128.889 3.138 . . . . 0.0 110.896 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.4 m -138.4 171.26 14.64 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.782 1.233 . . . . 0.0 114.132 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -127.1 158.9 35.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.826 2.05 . . . . 0.0 110.77 166.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.0 m -108.62 135.91 49.08 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.57 1.548 . . . . 0.0 111.849 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -100.55 159.29 15.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.74 1.616 . . . . 0.0 113.287 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.5 p -63.27 -25.71 68.45 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.24 1.816 . . . . 0.0 114.308 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -79.4 0.57 28.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.498 1.519 . . . . 0.0 114.773 171.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.69 77.03 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 126.279 1.895 . . . . 0.0 115.35 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 41.4 p -81.22 164.81 22.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.224 1.512 . . . . 0.0 112.41 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 50.5 p -122.61 153.1 39.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.965 1.306 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.09 161.65 37.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.517 1.127 . . . . 0.0 111.131 170.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -70.77 152.33 43.89 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -172.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.0 ptm -145.77 165.13 29.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.75 1.62 . . . . 0.0 110.498 165.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.56 165.99 34.54 Favored Glycine 0 N--CA 1.443 -0.874 0 O-C-N 120.689 -1.257 . . . . 0.0 113.979 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -82.6 106.82 14.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.784 -0.833 . . . . 0.0 110.328 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.48 113.98 25.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.002 1.321 . . . . 0.0 109.862 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.53 126.5 30.0 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 167.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 124.217 1.007 . . . . 0.0 113.654 -168.121 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.46 -0.477 0 CA-C-O 119.324 -0.365 . . . . 0.0 112.945 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.7 mt -68.88 127.95 34.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.83 153.92 45.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.338 2.655 . . . . 0.0 111.923 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -123.68 142.47 51.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.23 1.812 . . . . 0.0 110.636 176.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.84 97.04 7.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.636 1.575 . . . . 0.0 109.334 167.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.77 -13.44 39.49 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -167.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -112.18 -2.23 15.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.97 31.79 25.28 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 116.961 1.544 . . . . 0.0 116.961 168.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -126.4 23.1 6.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 119.665 1.732 . . . . 0.0 114.583 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.73 150.71 27.44 Favored Glycine 0 C--N 1.339 0.75 0 C-N-CA 126.636 2.065 . . . . 0.0 112.8 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -70.06 128.69 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -135.69 164.13 28.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.717 1.207 . . . . 0.0 113.182 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -132.1 161.63 32.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.32 1.448 . . . . 0.0 113.878 -167.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.448 -0.53 0 C-N-CA 125.929 1.692 . . . . 0.0 112.115 -176.284 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.258 0.551 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.23 144.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 121.613 -0.679 . . . . 0.0 110.28 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t -60.71 151.85 28.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.134 0.973 . . . . 0.0 112.533 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.0 -12.69 61.02 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.06 -11.88 60.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 119.956 1.253 . . . . 0.0 112.737 167.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -112.53 -175.04 2.58 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 128.85 2.86 . . . . 0.0 111.075 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.33 171.24 41.95 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.866 -1.146 . . . . 0.0 114.668 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.8 mt -100.93 141.11 34.29 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.413 1.485 . . . . 0.0 111.615 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 tp -78.79 131.06 36.37 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 123.862 0.865 . . . . 0.0 109.815 171.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 m -145.7 171.16 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.631 1.172 . . . . 0.0 112.368 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -143.69 145.33 32.35 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.879 1.672 . . . . 0.0 110.848 166.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -84.82 134.73 34.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.722 0.692 . . . . 0.0 109.617 165.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -105.18 -15.78 14.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.289 1.835 . . . . 0.0 113.458 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -126.96 2.11 6.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 21.66 70.92 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 120.116 1.326 . . . . 0.0 115.569 171.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -95.52 -2.38 48.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.351 1.461 . . . . 0.0 113.902 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.37 11.84 85.13 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-O 117.935 -1.48 . . . . 0.0 115.743 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.38 162.74 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.966 1.706 . . . . 0.0 111.671 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.0 mm -99.32 100.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 125.843 1.657 . . . . 0.0 109.807 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -147.8 -3.6 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.329 1.451 . . . . 0.0 114.741 -169.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -113.42 30.99 6.79 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 120.555 1.525 . . . . 0.0 114.669 -172.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -74.8 1.51 Allowed Glycine 0 C--N 1.338 0.649 0 C-N-CA 124.337 0.97 . . . . 0.0 114.581 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 2.27 0.73 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.14 2.176 . . . . 0.0 114.743 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.13 -21.2 36.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.589 2.755 . . . . 0.0 113.356 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.8 154.94 19.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.626 1.97 . . . . 0.0 110.313 165.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 70.3 m-85 -107.15 107.31 18.22 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.667 1.187 . . . . 0.0 110.948 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.55 -160.79 10.89 Favored Glycine 0 C--N 1.335 0.487 0 CA-C-N 118.776 0.716 . . . . 0.0 114.649 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -66.7 149.33 50.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.323 -1.104 . . . . 0.0 111.175 166.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.36 6.25 1.85 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -65.32 127.06 30.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 119.897 1.226 . . . . 0.0 110.925 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -76.37 136.79 39.51 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.62 1.168 . . . . 0.0 112.292 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.2 mt -108.56 173.03 6.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.909 2.483 . . . . 0.0 111.853 -173.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.32 71.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -168.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -92.46 12.74 21.78 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 120.029 1.286 . . . . 0.0 113.735 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.42 -2.83 84.18 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 125.712 1.625 . . . . 0.0 115.344 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -69.14 171.29 8.55 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 119.314 1.557 . . . . 0.0 112.786 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -124.41 140.76 52.65 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.465 -0.772 . . . . 0.0 111.863 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 144.39 44.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.701 0.8 . . . . 0.0 111.681 172.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -83.64 -22.96 32.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -158.96 173.17 16.91 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.941 1.697 . . . . 0.0 111.74 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.55 -38.83 96.47 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -67.62 -37.2 82.16 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 118.643 1.222 . . . . 0.0 112.235 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.35 73.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.827 0.74 . . . . 0.0 112.843 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -30.28 70.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.087 -1.008 . . . . 0.0 113.222 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.22 -28.17 22.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.548 1.139 . . . . 0.0 112.974 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -21.8 65.26 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.45 -17.18 64.14 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.717 1.207 . . . . 0.0 113.857 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.6 mt -99.35 1.5 44.47 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -166.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -78.32 119.31 21.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.759 0.709 . . . . 0.0 109.659 166.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -90.22 -30.96 17.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.879 -1.138 . . . . 0.0 113.611 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -107.43 -3.9 19.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.196 1.798 . . . . 0.0 115.157 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.35 36.08 40.45 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 119.042 0.837 . . . . 0.0 114.86 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.1 p30 -96.29 -3.05 44.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.034 1.334 . . . . 0.0 113.51 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.252 4.0 t30 66.33 25.96 10.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 127.412 2.285 . . . . 0.0 115.098 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 pt -132.94 154.35 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.248 1.419 . . . . 0.0 111.591 167.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -100.67 119.09 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 124.425 1.09 . . . . 0.0 109.006 171.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -151.03 168.82 23.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.756 1.223 . . . . 0.0 112.087 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.25 -16.63 47.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 -167.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.65 58.56 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 171.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -69.87 146.04 51.58 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.937 1.295 . . . . 0.0 113.255 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.34 72.96 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -173.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.85 -19.86 60.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.58 -44.6 89.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -152.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 119.79 1.177 . . . . 0.0 113.8 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.4 m -76.67 -22.97 53.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 120.949 -1.094 . . . . 0.0 112.013 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.9 mt -71.96 142.35 49.41 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.0 110.753 170.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -142.25 171.59 13.85 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.223 2.209 . . . . 0.0 110.193 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.9 t -124.64 135.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.699 1.2 . . . . 0.0 110.372 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -112.19 120.61 42.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.54 1.536 . . . . 0.0 110.595 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.48 101.34 9.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.717 1.207 . . . . 0.0 109.745 173.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.25 118.18 19.5 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.674 -0.641 . . . . 0.0 112.081 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.6 mt -88.58 -22.35 23.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -114.04 -12.49 12.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 51.31 60.86 3.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.999 2.119 . . . . 0.0 113.84 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -96.23 -11.18 26.42 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.685 1.994 . . . . 0.0 114.24 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.12 11.13 83.99 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 125.164 1.364 . . . . 0.0 115.044 -170.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -128.36 142.0 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.739 2.015 . . . . 0.0 110.225 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.0 t -93.38 140.12 29.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.384 -0.822 . . . . 0.0 112.398 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -136.59 149.67 48.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 126.354 1.862 . . . . 0.0 109.802 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.67 -23.44 66.78 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -164.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -67.42 -13.55 62.13 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.173 1.389 . . . . 0.0 114.186 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -97.5 -5.39 36.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.946 1.698 . . . . 0.0 113.689 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.13 151.47 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.311 1.044 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.13 153.52 45.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.497 2.319 . . . . 0.0 110.46 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -78.53 158.78 28.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.457 1.123 . . . . 0.0 111.548 167.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -33.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.164 -0.96 . . . . 0.0 110.814 167.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.81 -40.06 63.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.977 1.311 . . . . 0.0 112.81 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -71.22 -26.15 62.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.216 -1.552 . . . . 0.0 112.791 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -80.44 -1.91 43.56 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.652 1.581 . . . . 0.0 113.477 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.54 26.81 72.89 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.368 0.985 . . . . 0.0 114.893 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.83 129.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 124.883 1.273 . . . . 0.0 108.709 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -101.19 -41.16 6.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.54 1.136 . . . . 0.0 112.237 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.3 p -157.89 160.21 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -124.08 139.33 54.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.76 1.624 . . . . 0.0 110.046 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -86.37 133.76 33.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.081 0.952 . . . . 0.0 111.159 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.44 -4.76 58.57 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.58 28.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.843 0.857 . . . . 0.0 112.494 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -145.34 166.5 25.39 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -127.08 144.07 51.12 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 128.642 2.777 . . . . 0.0 110.649 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -81.29 134.36 35.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.662 0.785 . . . . 0.0 111.312 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.61 -29.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 125.137 1.375 . . . . 0.0 113.744 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.2 m120 51.09 45.53 27.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.957 1.703 . . . . 0.0 114.002 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -103.24 128.13 50.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.657 1.983 . . . . 0.0 112.153 -163.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -79.16 124.6 28.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.353 1.461 . . . . 0.0 110.148 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.58 -24.16 12.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 116.18 157.44 11.12 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.518 1.056 . . . . 0.0 113.35 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 m120 58.82 30.61 20.29 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.423 1.889 . . . . 0.0 114.376 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.66 78.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 125.171 1.367 . . . . 0.0 116.002 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.79 144.77 40.54 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.031 1.416 . . . . 0.0 111.903 -170.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.3 m -138.87 126.58 22.06 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.95 0.9 . . . . 0.0 112.103 -169.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 35.5 tp -81.54 106.76 13.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.35 1.06 . . . . 0.0 110.18 172.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.22 -54.2 7.52 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 118.328 0.513 . . . . 0.0 111.89 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -135.65 152.54 51.32 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.558 1.143 . . . . 0.0 111.322 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -141.25 150.76 43.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.102 1.361 . . . . 0.0 112.399 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.33 -154.38 7.06 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 127.869 2.652 . . . . 0.0 110.985 168.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 49.9 m -133.66 151.88 51.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 119.082 1.441 . . . . 0.0 114.114 -176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -118.5 155.34 31.01 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.698 1.599 . . . . 0.0 110.413 171.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.2 m -116.14 134.4 54.98 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.04 1.336 . . . . 0.0 112.248 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -96.03 163.05 13.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.81 1.644 . . . . 0.0 113.102 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.8 p -60.03 -31.31 69.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.196 1.399 . . . . 0.0 113.317 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -76.54 0.12 21.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.21 -0.2 88.74 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 125.023 1.297 . . . . 0.0 116.331 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 47.5 p -78.3 163.31 25.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 119.011 1.405 . . . . 0.0 111.919 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.2 p -125.58 161.33 27.45 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.465 1.106 . . . . 0.0 112.852 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -148.0 168.16 23.03 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.758 1.223 . . . . 0.0 110.391 165.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -67.68 147.32 52.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -134.6 160.56 37.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.802 1.641 . . . . 0.0 109.072 163.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.31 172.04 42.29 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 120.995 -1.066 . . . . 0.0 115.644 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -90.08 105.35 17.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.167 1.387 . . . . 0.0 109.909 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.92 121.25 44.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 127.128 2.171 . . . . 0.0 110.312 -172.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.7 mt -75.97 128.89 36.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.504 1.122 . . . . 0.0 110.778 174.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.446 -0.654 0 C-N-CA 125.456 1.502 . . . . 0.0 111.619 -171.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 10.2 Cg_exo . . . . . 0 C--O 1.226 -0.123 0 N-CA-C 113.2 0.423 . . . . 0.0 113.2 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.75 136.32 56.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.884 0.874 . . . . 0.0 112.935 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.31 154.15 50.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.684 1.994 . . . . 0.0 112.065 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -116.58 141.63 47.95 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 110.594 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -77.29 105.05 8.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.506 1.122 . . . . 0.0 110.43 168.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -89.17 -41.44 12.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.081 -1.012 . . . . 0.0 113.651 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -86.23 -3.93 59.07 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 120.754 1.615 . . . . 0.0 114.143 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.92 31.34 26.55 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.551 165.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -124.15 17.06 9.18 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 119.903 1.851 . . . . 0.0 113.786 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.75 149.55 25.81 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 127.083 2.278 . . . . 0.0 113.531 -172.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 mt -69.16 131.4 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 121.879 -0.777 . . . . 0.0 109.95 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -119.39 158.53 25.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.659 1.584 . . . . 0.0 113.06 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -136.43 164.46 28.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.219 1.408 . . . . 0.0 112.397 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 CA--C 1.514 -0.431 0 C-N-CA 127.159 2.183 . . . . 0.0 111.786 -177.134 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 . . . . . 0 N--CA 1.445 -0.685 0 CA-C-O 121.403 0.621 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.7 142.63 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 121.254 -0.904 . . . . 0.0 111.294 170.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -59.83 150.06 29.45 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.542 1.137 . . . . 0.0 112.179 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.74 -19.82 66.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.47 -7.11 55.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.671 1.189 . . . . 0.0 113.759 173.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -119.51 -170.95 2.03 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 128.859 2.864 . . . . 0.0 111.77 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.01 160.46 33.95 Favored Glycine 0 N--CA 1.448 -0.538 0 O-C-N 121.155 -0.966 . . . . 0.0 115.075 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.7 mt -83.7 141.79 31.2 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.204 1.002 . . . . 0.0 111.514 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -76.8 128.35 34.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.62 -0.675 . . . . 0.0 109.545 166.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.68 162.16 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -143.65 116.64 8.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.714 1.206 . . . . 0.0 110.74 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -76.52 114.38 15.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.911 0.485 . . . . 0.0 110.306 171.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.41 -8.88 40.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 126.351 1.86 . . . . 0.0 114.347 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -126.83 -4.08 6.44 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.94 20.69 69.88 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -84.52 -0.02 51.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.05 -0.51 87.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 126.106 1.812 . . . . 0.0 115.094 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 pt -133.24 160.45 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 125.339 1.456 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.38 100.12 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.782 1.633 . . . . 0.0 108.552 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -143.6 3.26 1.28 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -167.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -119.4 150.51 40.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.898 1.679 . . . . 0.0 111.634 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.28 -30.26 70.62 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 125.073 1.321 . . . . 0.0 115.394 -171.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.34 -2.54 53.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.26 -9.34 57.85 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 124.834 1.254 . . . . 0.0 114.254 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.7 mt -97.78 151.64 19.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.631 1.572 . . . . 0.0 109.941 162.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 91.4 m-85 -93.95 110.94 22.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.33 -0.857 . . . . 0.0 109.326 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.46 -156.44 9.93 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 124.205 0.907 . . . . 0.0 111.971 -175.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -71.37 160.11 33.36 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 122.13 0.967 . . . . 0.0 112.828 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.16 6.3 2.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 127.106 2.163 . . . . 0.0 116.131 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.0 m -62.55 129.87 42.56 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 119.849 -1.782 . . . . 0.0 109.21 160.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -84.28 142.38 30.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.109 -0.995 . . . . 0.0 111.166 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.6 mt -108.04 165.98 11.07 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 127.15 2.18 . . . . 0.0 111.986 -170.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.6 72.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -169.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -78.84 -7.26 57.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.997 1.319 . . . . 0.0 113.587 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.72 -1.74 61.82 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 126.198 1.856 . . . . 0.0 114.857 -173.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.6 m -72.38 171.4 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 119.668 1.734 . . . . 0.0 112.401 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.75 147.76 34.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.057 0.943 . . . . 0.0 111.987 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.23 134.79 50.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.172 1.389 . . . . 0.0 111.547 174.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -74.73 -31.33 61.8 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.312 1.445 . . . . 0.0 112.915 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -160.36 167.34 27.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.028 1.731 . . . . 0.0 111.632 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.11 -26.92 69.71 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 -173.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.58 -37.97 74.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.982 1.391 . . . . 0.0 111.874 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.92 72.85 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 118.986 0.812 . . . . 0.0 112.611 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.26 71.84 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.4 tp -82.57 -34.8 27.61 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.191 1.396 . . . . 0.0 113.831 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.44 -20.91 61.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.79 -21.08 60.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.1 mt -94.71 3.47 55.01 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -170.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -79.25 123.62 27.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.513 1.506 . . . . 0.0 111.445 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 m -92.84 -14.54 27.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.765 2.026 . . . . 0.0 114.403 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -109.38 -21.56 12.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.22 46.5 20.94 Favored Glycine 0 C--O 1.225 -0.467 0 C-N-CA 123.921 0.772 . . . . 0.0 112.976 -172.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -124.24 1.87 8.49 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.473 1.509 . . . . 0.0 114.281 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 t30 60.02 24.92 14.12 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 127.67 2.388 . . . . 0.0 116.135 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.8 pt -134.38 157.97 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 125.523 1.529 . . . . 0.0 112.059 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.16 118.58 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.145 1.378 . . . . 0.0 110.024 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -158.98 175.52 13.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.712 1.605 . . . . 0.0 111.641 -167.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.0 -13.25 23.93 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.93 -12.48 60.97 Favored 'General case' 0 N--CA 1.445 -0.724 0 O-C-N 120.463 -1.398 . . . . 0.0 114.403 167.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -87.27 142.99 27.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.319 1.447 . . . . 0.0 114.316 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.52 78.02 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.112 1.365 . . . . 0.0 114.033 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 -16.14 44.56 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.16 -42.74 73.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -161.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -72.25 -7.75 51.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.783 -1.198 . . . . 0.0 113.894 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.8 m -96.75 -2.87 43.46 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 125.202 1.401 . . . . 0.0 113.386 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.85 147.56 41.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 119.536 1.062 . . . . 0.0 110.994 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -138.29 171.72 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.864 2.066 . . . . 0.0 110.702 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -123.82 128.7 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.321 1.448 . . . . 0.0 110.025 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -100.77 121.39 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.063 0.945 . . . . 0.0 111.601 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -115.79 99.09 7.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.703 1.601 . . . . 0.0 110.185 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -86.15 93.66 9.08 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.44 0.638 . . . . 0.0 109.62 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.4 mt -72.11 -25.86 61.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.54 1.136 . . . . 0.0 112.989 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.89 -9.62 59.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.998 1.319 . . . . 0.0 112.736 167.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 59.54 32.86 21.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.002 1.721 . . . . 0.0 113.122 169.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -88.82 -31.32 18.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 120.612 -1.305 . . . . 0.0 114.075 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.38 15.77 54.6 Favored Glycine 0 C--N 1.341 0.844 0 N-CA-C 115.414 0.926 . . . . 0.0 115.414 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -120.17 139.9 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.063 1.745 . . . . 0.0 108.229 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.8 t -94.75 132.72 39.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -165.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -117.56 147.37 42.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.485 1.914 . . . . 0.0 109.507 167.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.73 71.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -164.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -66.1 -20.85 66.29 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -79.45 -6.42 56.86 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 120.536 1.516 . . . . 0.0 113.583 -175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.58 135.9 33.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 110.741 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -107.55 150.55 26.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.236 2.614 . . . . 0.0 110.798 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -71.46 158.39 36.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.007 0.923 . . . . 0.0 111.661 161.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.89 -26.18 62.23 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.338 -0.851 . . . . 0.0 110.694 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.04 -48.57 67.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.145 1.378 . . . . 0.0 111.762 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -27.97 65.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.69 -1.256 . . . . 0.0 113.867 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -79.81 -17.14 54.05 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.171 1.388 . . . . 0.0 113.037 171.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.43 47.08 44.99 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.431 1.015 . . . . 0.0 113.411 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.14 125.44 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 127.305 2.242 . . . . 0.0 109.61 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -108.21 -47.97 3.44 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.493 1.117 . . . . 0.0 113.572 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.5 p -154.58 145.92 22.98 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.107 0.867 . . . . 0.0 112.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.93 137.34 51.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.222 1.409 . . . . 0.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -81.58 130.72 35.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.102 0.961 . . . . 0.0 111.126 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -82.53 -7.86 59.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 174.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -83.05 151.15 25.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.216 0.917 . . . . 0.0 112.335 170.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -147.72 166.79 26.41 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.56 1.144 . . . . 0.0 112.151 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -121.48 137.74 54.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.555 1.542 . . . . 0.0 109.155 162.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -75.19 136.73 41.0 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.001 0.521 . . . . 0.0 111.412 172.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.0 m -132.75 -24.65 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 46.08 46.93 12.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -87.74 123.03 32.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.061 1.344 . . . . 0.0 111.392 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -88.54 104.62 17.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.296 1.039 . . . . 0.0 109.876 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.05 10.53 37.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.442 1.497 . . . . 0.0 114.822 -168.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 74.21 175.79 33.84 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 120.664 -1.273 . . . . 0.0 113.816 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.5 m120 54.31 22.19 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.176 1.79 . . . . 0.0 115.116 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.08 13.76 68.25 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -109.85 138.13 46.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 118.914 1.357 . . . . 0.0 112.764 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.3 m -138.22 127.5 24.48 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.202 1.001 . . . . 0.0 111.005 173.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 55.3 tp -84.04 110.83 18.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 109.055 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.06 -50.59 11.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.865 0.466 . . . . 0.0 111.956 -177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.14 147.34 29.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.842 1.257 . . . . 0.0 112.411 -175.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -132.06 146.05 51.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 111.942 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.39 5.4 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 127.977 2.703 . . . . 0.0 110.965 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.5 m -133.96 163.25 29.95 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -135.07 156.47 48.98 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.84 1.656 . . . . 0.0 111.186 165.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.8 m -107.55 141.31 39.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 126.437 1.895 . . . . 0.0 110.217 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -97.5 161.29 13.85 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.084 1.754 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 51.7 p -68.04 -10.54 54.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -93.13 1.14 57.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 126.032 1.733 . . . . 0.0 114.801 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.03 -6.49 82.68 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 125.543 1.544 . . . . 0.0 116.094 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 57.0 p -77.7 166.52 22.87 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.147 1.474 . . . . 0.0 111.959 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 74.3 p -124.55 158.24 33.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.76 0.824 . . . . 0.0 113.075 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.37 163.3 36.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.252 1.421 . . . . 0.0 110.966 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -75.87 153.19 36.93 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.998 0.904 . . . . 0.0 113.345 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptm -142.45 161.39 38.17 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.93 1.692 . . . . 0.0 109.945 166.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.07 169.64 42.57 Favored Glycine 0 N--CA 1.443 -0.836 0 O-C-N 121.059 -1.026 . . . . 0.0 114.62 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -97.65 117.5 32.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.432 1.493 . . . . 0.0 110.258 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.57 128.66 54.72 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.014 0.926 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.15 116.88 21.91 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.753 1.621 . . . . 0.0 108.851 171.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.447 -0.624 0 C-N-CA 124.588 1.155 . . . . 0.0 110.948 -170.16 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo . . . . . 0 CA--C 1.53 0.275 0 N-CA-C 114.32 0.854 . . . . 0.0 114.32 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.68 126.3 29.27 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.369 1.068 . . . . 0.0 111.527 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.89 143.15 51.19 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.02 1.728 . . . . 0.0 112.002 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -115.81 137.11 52.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.029 2.532 . . . . 0.0 110.168 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.79 111.57 19.31 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.456 1.502 . . . . 0.0 109.448 166.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.68 -27.03 21.52 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -170.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -111.76 -17.87 12.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.89 55.3 1.77 Allowed Glycine 0 C--N 1.343 0.942 0 O-C-N 120.992 -1.068 . . . . 0.0 114.719 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -144.96 25.62 1.41 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 167.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.47 175.53 45.69 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 125.429 1.49 . . . . 0.0 113.44 -176.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mt -92.59 137.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 C-N-CA 125.298 1.439 . . . . 0.0 108.865 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -120.77 151.16 39.93 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.785 1.634 . . . . 0.0 110.298 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -133.27 165.84 23.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.854 -1.154 . . . . 0.0 112.666 -173.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 C--O 1.223 -0.326 0 C-N-CA 126.568 1.947 . . . . 0.0 110.645 175.67 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.78 151.5 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.97 -1.081 . . . . 0.0 112.167 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 p -64.53 158.25 24.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -14.08 39.93 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.707 -1.246 . . . . 0.0 114.269 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.27 -28.45 59.79 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.948 1.299 . . . . 0.0 113.636 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -109.11 143.61 38.25 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.602 1.561 . . . . 0.0 113.31 -168.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.32 127.32 8.86 Favored Glycine 0 C--N 1.337 0.591 0 O-C-N 121.493 -0.754 . . . . 0.0 113.91 -167.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.15 144.85 29.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.631 1.216 . . . . 0.0 111.04 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 tp -86.98 128.61 35.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 123.401 0.68 . . . . 0.0 111.484 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -143.21 164.43 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 125.088 1.355 . . . . 0.0 113.1 -176.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -152.28 113.01 4.15 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.294 1.838 . . . . 0.0 110.602 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -81.68 113.98 20.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.906 0.882 . . . . 0.0 110.816 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.6 -13.32 62.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -102.13 -9.54 20.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.848 1.659 . . . . 0.0 113.398 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.94 85.87 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.241 0.924 . . . . 0.0 115.085 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -110.01 -7.23 14.97 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 118.652 1.226 . . . . 0.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.74 39.38 Favored Glycine 0 C--N 1.341 0.821 0 C-N-CA 126.026 1.774 . . . . 0.0 115.81 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.3 mm -126.02 124.68 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 118.775 1.287 . . . . 0.0 111.503 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.84 101.56 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.278 1.831 . . . . 0.0 108.37 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.35 -15.78 2.17 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.43 154.03 22.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.965 1.306 . . . . 0.0 114.064 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.94 -18.83 34.81 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 126.22 1.867 . . . . 0.0 116.99 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.91 -9.42 58.73 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.715 1.758 . . . . 0.0 114.847 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.74 -22.12 17.16 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -160.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.78 134.54 44.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.542 1.537 . . . . 0.0 109.556 167.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.65 123.71 32.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.217 0.607 . . . . 0.0 111.426 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.18 -158.11 25.43 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 125.941 1.734 . . . . 0.0 111.97 -175.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -70.4 143.03 51.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.441 1.115 . . . . 0.0 112.557 169.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.12 20.9 8.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.151 2.18 . . . . 0.0 115.051 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.5 m -62.62 133.22 54.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.854 -1.154 . . . . 0.0 109.999 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -83.76 140.78 31.87 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.51 172.14 6.99 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 127.555 2.342 . . . . 0.0 112.774 -172.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.52 63.69 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -103.21 11.14 37.3 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.036 1.334 . . . . 0.0 112.876 171.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.04 -3.87 84.64 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 125.803 1.668 . . . . 0.0 115.523 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -67.44 154.93 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.893 1.846 . . . . 0.0 112.103 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -99.88 129.79 46.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 123.932 0.893 . . . . 0.0 111.867 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.35 135.36 44.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.448 1.099 . . . . 0.0 112.135 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -74.21 -26.1 60.06 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -174.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -155.82 169.92 23.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.361 2.264 . . . . 0.0 110.899 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.62 -29.91 76.46 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 115.579 0.992 . . . . 0.0 115.579 -172.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.79 -32.41 67.6 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 118.413 1.106 . . . . 0.0 112.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.93 69.57 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 118.549 0.613 . . . . 0.0 111.902 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.83 81.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.736 0.814 . . . . 0.0 112.989 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.2 tp -84.95 -32.63 22.94 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.431 1.093 . . . . 0.0 113.596 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -19.23 63.75 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -64.53 -18.52 64.9 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 mt -96.23 5.88 50.03 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.58 120.96 21.71 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 121.213 -0.929 . . . . 0.0 110.313 165.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -87.94 -33.47 18.45 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -109.18 -19.17 13.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.306 1.443 . . . . 0.0 114.834 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.49 71.57 1.31 Allowed Glycine 0 C--O 1.224 -0.502 0 CA-C-N 119.394 0.997 . . . . 0.0 112.729 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -132.02 4.44 4.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.542 1.537 . . . . 0.0 113.331 172.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.8 t30 61.37 22.41 12.8 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.622 2.369 . . . . 0.0 114.836 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 pt -131.74 150.24 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 124.739 1.216 . . . . 0.0 111.588 171.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.2 mm -98.12 110.45 25.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 172.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -143.28 169.14 18.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.688 1.595 . . . . 0.0 111.935 -170.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.48 -16.08 33.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -168.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.67 -14.55 58.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.18 149.85 40.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 120.196 1.362 . . . . 0.0 113.577 171.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.36 69.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.1 -17.55 32.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -54.42 -47.95 72.21 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 120.31 1.414 . . . . 0.0 113.78 -167.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.86 -11.32 60.55 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 124.135 0.974 . . . . 0.0 113.229 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.0 m -85.23 -26.42 26.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.217 1.407 . . . . 0.0 113.696 172.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.94 149.34 47.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 121.268 -0.895 . . . . 0.0 112.325 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -135.52 156.71 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.887 1.275 . . . . 0.0 111.634 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -110.97 137.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.439 1.496 . . . . 0.0 109.273 171.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -128.58 127.21 41.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.469 1.508 . . . . 0.0 113.377 -164.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -125.61 133.76 52.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.365 1.466 . . . . 0.0 112.147 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -79.21 67.24 4.88 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.648 1.113 . . . . 0.0 113.478 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.08 -36.1 76.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.345 -1.472 . . . . 0.0 112.339 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -85.3 -8.3 58.56 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.638 1.175 . . . . 0.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 55.18 56.31 6.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.745 1.618 . . . . 0.0 113.241 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -153.42 147.84 25.99 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 127.205 2.202 . . . . 0.0 111.988 172.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.08 -13.54 57.74 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 120.254 -1.529 . . . . 0.0 116.356 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -80.47 153.47 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.476 1.51 . . . . 0.0 112.563 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.49 145.94 52.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.379 1.471 . . . . 0.0 113.385 170.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -137.5 149.58 46.89 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.724 2.01 . . . . 0.0 109.269 157.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.28 97.12 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 120.195 -1.565 . . . . 0.0 114.726 -168.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -68.14 -8.12 35.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.949 1.3 . . . . 0.0 114.289 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -77.84 -13.8 59.77 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.6 154.95 19.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.184 1.394 . . . . 0.0 112.491 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -139.38 145.37 38.87 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 127.458 2.303 . . . . 0.0 110.055 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -70.1 165.68 21.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.801 0.841 . . . . 0.0 111.72 162.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 97.8 mt -74.54 -35.46 63.12 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.467 -0.771 . . . . 0.0 110.954 170.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.49 -37.82 83.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.33 -24.79 62.18 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.792 1.178 . . . . 0.0 113.231 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.7 -7.76 59.63 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.019 1.328 . . . . 0.0 113.543 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.22 36.73 59.87 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 119.194 0.906 . . . . 0.0 113.061 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.1 mt -90.63 135.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.89 1.345 . . . . 0.0 110.457 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -97.26 -45.56 6.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.929 1.691 . . . . 0.0 111.912 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.6 p -163.09 161.52 25.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.486 0.715 . . . . 0.0 112.209 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mp -114.24 138.37 50.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.055 1.342 . . . . 0.0 109.666 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -85.87 126.67 34.24 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.321 1.049 . . . . 0.0 111.182 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.74 -12.73 60.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.86 139.13 41.53 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 119.43 1.014 . . . . 0.0 112.251 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -142.85 165.92 26.06 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 124.492 1.117 . . . . 0.0 111.751 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 109.687 165.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.69 126.1 29.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 169.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.39 -31.26 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 43.84 61.74 2.19 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.439 1.895 . . . . 0.0 113.657 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -106.64 137.76 44.06 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.127 2.171 . . . . 0.0 112.531 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.56 137.62 42.5 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.988 0.915 . . . . 0.0 111.535 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.41 5.14 34.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.314 1.446 . . . . 0.0 113.532 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.91 -175.48 27.29 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 121.362 -0.836 . . . . 0.0 111.905 -155.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 54.87 18.83 2.34 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.402 1.481 . . . . 0.0 114.863 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.9 8.3 72.8 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 124.905 1.24 . . . . 0.0 115.367 -174.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -102.97 155.53 18.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.274 1.537 . . . . 0.0 112.284 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 m -130.93 136.42 48.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.2 tp -89.3 108.47 19.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.035 1.334 . . . . 0.0 108.409 162.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.46 -49.5 11.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 117.863 0.302 . . . . 0.0 111.659 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -134.97 134.68 40.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.208 1.403 . . . . 0.0 110.288 -171.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -125.47 139.95 53.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.139 0.976 . . . . 0.0 111.862 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.75 -148.71 5.06 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 126.634 2.064 . . . . 0.0 112.213 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.2 p -148.38 167.59 24.85 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -130.64 161.97 30.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.988 1.315 . . . . 0.0 110.045 162.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 97.7 m -116.38 136.26 53.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.4 1.48 . . . . 0.0 110.946 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.71 156.26 16.64 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.401 1.88 . . . . 0.0 111.493 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 35.4 p -62.65 -23.4 67.07 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -73.54 4.74 4.51 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.946 1.698 . . . . 0.0 115.402 171.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.83 14.13 82.69 Favored Glycine 0 N--CA 1.446 -0.685 0 O-C-N 120.834 -1.166 . . . . 0.0 114.817 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 24.9 p -98.49 158.83 15.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.886 1.343 . . . . 0.0 112.285 173.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 m -106.64 150.8 25.85 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.762 1.225 . . . . 0.0 110.39 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -142.1 158.24 43.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 126.617 1.967 . . . . 0.0 111.469 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.87 144.22 28.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.951 -1.093 . . . . 0.0 113.317 -169.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.9 ptm -151.12 166.33 31.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.234 1.014 . . . . 0.0 112.209 163.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.02 170.86 44.03 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 123.175 0.417 . . . . 0.0 113.557 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -95.14 124.36 39.14 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.658 1.183 . . . . 0.0 110.557 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.64 150.34 26.32 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.74 1.216 . . . . 0.0 111.598 -175.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.0 mt -103.47 115.53 30.7 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.243 1.817 . . . . 0.0 106.801 166.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.449 -0.476 0 C-N-CA 124.306 1.042 . . . . 0.0 108.659 -171.256 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo . . . . . 0 N--CA 1.48 0.694 0 N-CA-C 112.948 0.326 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.38 131.5 46.61 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.133 0.573 . . . . 0.0 112.106 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.85 147.8 50.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.49 1.916 . . . . 0.0 112.42 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.6 142.23 46.23 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 126.639 1.976 . . . . 0.0 110.162 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -88.09 108.4 19.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.217 1.407 . . . . 0.0 110.95 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.06 -35.87 15.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -172.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -95.34 -10.49 29.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 120.716 1.598 . . . . 0.0 114.661 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.54 49.88 2.87 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 115.733 1.053 . . . . 0.0 115.733 168.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -144.57 19.06 1.68 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.984 1.392 . . . . 0.0 114.028 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 170.83 45.62 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 125.67 1.605 . . . . 0.0 113.271 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.9 mm -76.47 132.84 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 121.175 -1.191 . . . . 0.0 110.82 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -119.82 144.45 47.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.014 1.726 . . . . 0.0 112.434 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -129.35 144.87 51.41 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.752 1.221 . . . . 0.0 112.015 168.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.452 -0.34 0 C-N-CA 125.287 1.435 . . . . 0.0 111.495 -176.124 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.22 125.06 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.601 1.56 . . . . 0.0 110.244 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 t -61.13 152.55 28.14 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.196 1.399 . . . . 0.0 112.177 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -10.92 12.48 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.56 -24.17 67.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 165.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -132.65 175.57 9.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.931 2.492 . . . . 0.0 112.054 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.03 151.4 23.29 Favored Glycine 0 N--CA 1.448 -0.528 0 O-C-N 121.284 -0.885 . . . . 0.0 115.111 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.39 137.16 33.55 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.2 1.4 . . . . 0.0 110.42 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.1 tp -74.9 129.35 37.52 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 123.846 0.859 . . . . 0.0 109.687 169.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 m -147.2 165.04 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 124.143 0.977 . . . . 0.0 113.541 -168.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -138.11 131.69 30.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.526 1.93 . . . . 0.0 109.381 166.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -85.03 89.58 7.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.448 -0.783 . . . . 0.0 110.093 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -77.28 0.18 23.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 125.711 1.604 . . . . 0.0 115.142 -168.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -125.17 -3.87 7.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.35 1.46 . . . . 0.0 114.613 167.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.07 18.53 76.53 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 115.765 1.066 . . . . 0.0 115.765 175.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -74.58 -3.76 32.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.499 1.65 . . . . 0.0 115.134 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 -6.69 59.1 Favored Glycine 0 C--N 1.342 0.898 0 C-N-CA 127.257 2.36 . . . . 0.0 115.398 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 pt -137.38 160.72 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 125.554 1.541 . . . . 0.0 112.562 -171.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.1 106.96 20.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 C-N-CA 124.35 1.06 . . . . 0.0 109.183 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.16 -13.66 1.83 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -169.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.62 153.82 22.34 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.693 1.197 . . . . 0.0 112.933 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.44 -30.28 75.87 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 115.898 1.119 . . . . 0.0 115.898 -176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.47 -2.36 57.14 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 119.052 1.426 . . . . 0.0 114.039 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -82.29 -23.45 35.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.601 1.091 . . . . 0.0 112.846 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.24 153.3 21.59 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 125.484 1.514 . . . . 0.0 110.065 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -85.48 115.02 22.96 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.642 -1.286 . . . . 0.0 111.199 172.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.39 -160.95 34.39 Favored Glycine 0 C--O 1.221 -0.687 0 C-N-CA 124.193 0.901 . . . . 0.0 113.902 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -71.23 -5.63 33.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -170.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -92.66 4.32 53.9 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.764 1.225 . . . . 0.0 112.54 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -92.67 141.57 28.33 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.151 1.38 . . . . 0.0 110.536 172.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.48 138.7 33.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.551 1.141 . . . . 0.0 112.636 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.36 176.88 9.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.08 2.152 . . . . 0.0 111.572 173.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.09 66.15 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -93.9 -0.19 55.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 121.111 1.778 . . . . 0.0 113.543 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.65 -4.14 68.85 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.439 1.971 . . . . 0.0 114.723 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -70.19 142.85 52.39 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 119.658 1.729 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -72.12 139.31 48.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.031 -1.043 . . . . 0.0 112.036 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.77 148.91 51.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.44 -32.49 62.65 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.405 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -159.99 165.71 31.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.097 1.359 . . . . 0.0 112.013 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.84 -32.38 79.24 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 125.906 1.717 . . . . 0.0 114.081 -174.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -70.38 -41.51 72.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.637 1.218 . . . . 0.0 111.839 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.43 86.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.113 0.869 . . . . 0.0 111.996 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.81 -35.97 81.29 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -80.77 -36.44 31.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.267 1.027 . . . . 0.0 113.028 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.56 -20.58 63.43 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.711 1.204 . . . . 0.0 114.168 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -51.81 -27.37 12.2 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.939 1.296 . . . . 0.0 113.747 168.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.6 -2.74 40.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.636 1.574 . . . . 0.0 114.422 -169.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.34 115.59 11.77 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 121.204 1.82 . . . . 0.0 110.021 168.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.9 m -80.52 -18.91 47.07 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 113.406 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.28 -21.86 11.66 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -161.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.2 39.17 37.57 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 119.097 0.862 . . . . 0.0 113.676 -169.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -116.26 6.63 13.85 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.408 1.483 . . . . 0.0 114.225 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 60.43 17.59 7.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.924 2.09 . . . . 0.0 114.573 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.7 pt -131.95 151.1 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.629 1.171 . . . . 0.0 112.808 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.33 115.85 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.695 1.598 . . . . 0.0 108.331 167.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -151.06 173.23 14.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.288 1.835 . . . . 0.0 111.255 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.69 10.79 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -175.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.1 -22.47 63.02 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 120.914 -1.116 . . . . 0.0 113.766 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -77.38 135.56 38.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.698 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.56 66.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.892 1.277 . . . . 0.0 113.704 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.34 -15.94 48.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.46 -35.31 65.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -161.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -82.25 -2.19 51.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.4 p -79.71 -23.68 42.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 120.928 -1.108 . . . . 0.0 113.858 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.03 142.45 52.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.903 1.281 . . . . 0.0 112.209 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -141.35 172.08 13.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.896 2.078 . . . . 0.0 110.441 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.74 140.3 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.12 1.768 . . . . 0.0 110.321 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -116.61 121.01 40.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.454 1.502 . . . . 0.0 110.952 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -117.06 101.92 8.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.914 1.686 . . . . 0.0 109.93 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -77.16 122.57 25.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 118.521 0.601 . . . . 0.0 111.199 -174.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.2 mt -89.08 -17.05 30.07 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -168.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -113.67 -4.42 13.44 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.525 1.53 . . . . 0.0 114.314 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 56.73 48.34 16.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.707 2.003 . . . . 0.0 113.942 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -96.16 -15.56 22.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.665 -1.272 . . . . 0.0 113.908 165.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.76 69.95 Favored Glycine 0 N--CA 1.449 -0.473 0 O-C-N 121.479 -0.763 . . . . 0.0 112.489 -173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.2 mt -121.03 116.11 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.718 1.607 . . . . 0.0 106.982 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -83.23 140.39 32.56 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -164.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -128.46 154.03 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.292 2.237 . . . . 0.0 109.852 167.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.09 72.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -67.36 -12.21 59.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -90.75 -5.93 55.05 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.322 1.449 . . . . 0.0 113.344 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.68 154.07 19.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -142.17 155.76 45.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.611 1.964 . . . . 0.0 110.944 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 59.4 p -80.05 161.56 25.32 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.456 1.502 . . . . 0.0 111.857 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.71 -35.61 72.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.015 0.526 . . . . 0.0 111.448 171.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.69 -44.52 96.04 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.235 1.014 . . . . 0.0 113.19 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.91 -16.9 62.13 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.605 -1.31 . . . . 0.0 114.246 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -94.15 -10.69 32.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.831 1.653 . . . . 0.0 113.151 173.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.8 32.68 56.77 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.2 0.905 . . . . 0.0 114.6 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.7 mt -87.1 128.13 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 124.622 1.169 . . . . 0.0 109.942 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -101.12 -46.03 5.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.154 1.381 . . . . 0.0 112.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.4 p -161.03 161.98 31.6 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.726 0.811 . . . . 0.0 112.589 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mp -119.25 138.15 53.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.934 1.693 . . . . 0.0 109.658 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.61 150.45 24.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -102.0 -3.76 27.18 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -94.23 148.3 22.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.501 1.12 . . . . 0.0 112.283 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.85 169.41 20.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -170.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -132.4 143.05 49.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.795 2.438 . . . . 0.0 110.953 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -74.99 127.86 34.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.259 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.0 p -141.96 -24.91 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 54.09 38.38 28.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 165.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -70.88 127.87 34.09 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.715 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -74.4 124.61 26.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.803 0.841 . . . . 0.0 109.262 165.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.6 mt -111.65 12.44 21.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.88 170.16 28.84 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-O 122.191 0.884 . . . . 0.0 113.921 -174.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 51.16 28.05 3.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.45 1.9 . . . . 0.0 114.512 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.85 1.84 85.11 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.476 1.512 . . . . 0.0 115.549 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -87.54 147.17 25.46 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.039 1.419 . . . . 0.0 111.733 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 61.0 m -142.0 129.51 21.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.83 1.252 . . . . 0.0 110.744 -174.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.2 tt -95.54 113.55 25.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.282 1.033 . . . . 0.0 109.331 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.53 -55.72 4.99 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.665 0.786 . . . . 0.0 112.334 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -131.69 144.79 51.26 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.181 1.393 . . . . 0.0 111.675 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.87 149.75 52.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.196 0.999 . . . . 0.0 112.566 -171.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.06 -162.09 11.49 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 126.571 2.034 . . . . 0.0 112.582 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 77.9 p -112.42 159.28 18.89 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -138.35 160.11 40.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.736 1.614 . . . . 0.0 110.602 162.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.7 m -118.92 143.69 46.86 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 125.708 1.603 . . . . 0.0 111.073 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -101.98 167.8 9.81 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.285 1.834 . . . . 0.0 112.436 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.1 p -67.19 -22.62 65.72 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -78.98 -0.05 29.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 167.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.61 87.98 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 125.617 1.579 . . . . 0.0 115.937 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 56.3 p -72.87 156.11 39.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 119.567 1.683 . . . . 0.0 112.03 172.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 20.5 p -116.95 154.45 30.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 122.069 0.938 . . . . 0.0 113.122 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.15 172.8 12.89 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.152 2.181 . . . . 0.0 110.853 -165.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -100.19 146.26 27.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.083 1.353 . . . . 0.0 113.684 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.7 ptm -146.8 163.15 36.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 125.411 1.484 . . . . 0.0 110.868 168.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.35 170.29 42.5 Favored Glycine 0 C--N 1.331 0.267 0 O-C-N 121.182 -0.949 . . . . 0.0 114.271 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -98.18 132.61 43.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.428 1.091 . . . . 0.0 111.67 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.25 136.04 50.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.202 1.001 . . . . 0.0 111.743 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 80.4 mt -84.28 109.01 17.46 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.469 1.507 . . . . 0.0 107.184 156.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.451 -0.401 0 C-N-CA 123.802 0.841 . . . . 0.0 110.781 -179.157 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.336 0 N-CA-C 113.262 0.447 . . . . 0.0 113.262 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.29 133.11 47.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.52 154.15 49.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.515 1.926 . . . . 0.0 112.871 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -119.87 138.33 53.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.365 1.866 . . . . 0.0 110.636 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -78.96 115.11 18.44 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.214 1.006 . . . . 0.0 110.159 167.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.17 -33.85 18.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -105.78 -16.96 14.53 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.615 1.566 . . . . 0.0 113.803 -175.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 48.33 2.91 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 120.134 1.334 . . . . 0.0 115.221 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -137.88 9.31 2.81 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 155.74 11.17 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 125.817 1.675 . . . . 0.0 113.064 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.9 mt -77.79 109.1 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.68 139.17 31.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.249 1.02 . . . . 0.0 112.386 -171.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -133.55 164.44 27.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.981 1.312 . . . . 0.0 112.928 -173.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.45 -0.452 0 C-N-CA 125.462 1.505 . . . . 0.0 110.508 -179.356 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 . . . . . 0 N--CA 1.443 -0.782 0 CA-C-O 120.916 0.389 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.42 136.62 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 124.52 1.128 . . . . 0.0 110.052 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -58.71 153.11 17.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.849 -1.157 . . . . 0.0 111.813 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.28 -11.9 4.77 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.62 -41.84 87.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.128 1.371 . . . . 0.0 113.161 170.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -117.26 -169.93 1.75 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.073 2.149 . . . . 0.0 112.61 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.09 159.35 28.3 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -92.11 139.2 30.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 127.238 2.215 . . . . 0.0 110.162 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.6 tp -75.35 135.46 40.85 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 121.189 -0.945 . . . . 0.0 110.778 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.32 159.26 15.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 125.015 1.326 . . . . 0.0 113.368 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -145.85 131.52 18.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 126.22 1.808 . . . . 0.0 109.837 169.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.94 130.95 35.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 118.911 0.778 . . . . 0.0 112.418 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.16 -6.95 22.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.586 1.555 . . . . 0.0 114.339 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -136.84 -5.37 1.93 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.91 22.26 69.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-O 118.575 -1.125 . . . . 0.0 115.805 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -91.34 5.57 48.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.15 74.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.9 pt -129.68 144.46 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 126.458 1.903 . . . . 0.0 110.356 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -82.14 110.31 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 170.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -146.98 -20.07 0.4 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.426 1.491 . . . . 0.0 114.966 -172.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -85.55 9.04 17.08 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.759 -1.213 . . . . 0.0 114.261 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.88 -66.68 1.75 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 125.611 1.577 . . . . 0.0 114.407 173.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 7.54 0.68 Allowed 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.101 1.76 . . . . 0.0 114.817 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -72.11 -23.6 61.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 125.826 1.651 . . . . 0.0 111.633 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.62 157.41 28.7 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.539 1.936 . . . . 0.0 110.195 163.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 88.5 m-85 -96.79 106.9 19.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.844 -1.16 . . . . 0.0 111.031 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.21 -161.68 24.61 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 125.337 1.446 . . . . 0.0 113.482 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -70.01 -13.52 62.27 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -171.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.11 -8.38 56.88 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 120.834 -1.166 . . . . 0.0 113.729 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -78.02 140.82 39.17 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 120.181 1.355 . . . . 0.0 112.647 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.0 142.86 27.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.569 1.147 . . . . 0.0 112.141 167.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.27 179.38 6.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 126.772 2.029 . . . . 0.0 110.889 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.41 41.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 116.62 2.081 . . . . 0.0 116.62 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 p30 -91.58 -5.76 53.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.574 1.079 . . . . 0.0 113.856 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.35 77.48 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.159 1.361 . . . . 0.0 115.79 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.2 p -72.75 152.22 41.73 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 119.017 1.408 . . . . 0.0 111.273 167.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -77.47 145.97 36.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 120.814 -1.179 . . . . 0.0 112.341 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 152.18 43.88 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.017 1.727 . . . . 0.0 112.007 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -76.53 -39.78 51.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 123.919 0.888 . . . . 0.0 112.383 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -159.04 168.45 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.692 1.597 . . . . 0.0 112.43 -167.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.8 -31.86 81.75 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.027 1.299 . . . . 0.0 114.352 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -70.22 -32.02 69.7 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.27 1.535 . . . . 0.0 112.83 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.55 -40.5 66.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 118.723 0.692 . . . . 0.0 111.924 170.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.6 99.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.274 1.03 . . . . 0.0 112.753 176.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.61 -33.38 64.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.687 0.795 . . . . 0.0 112.716 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -21.26 65.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.97 -15.98 47.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -96.9 -5.29 38.42 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.392 1.477 . . . . 0.0 114.893 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -74.96 110.76 9.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 119.354 0.979 . . . . 0.0 110.275 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.8 p -77.75 -36.81 50.29 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -168.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -107.34 -17.6 14.09 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -168.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.13 14.31 54.67 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.4 p30 -74.86 -7.29 53.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.267 1.533 . . . . 0.0 113.379 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.279 8.6 t30 57.25 36.74 27.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.706 2.402 . . . . 0.0 115.714 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.1 pt -131.89 155.68 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.757 1.623 . . . . 0.0 110.311 160.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.7 mm -100.94 112.35 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -142.82 170.37 15.82 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.709 1.604 . . . . 0.0 111.303 -171.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.87 -15.56 55.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.73 57.54 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 120.044 1.293 . . . . 0.0 113.556 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -67.78 125.89 27.68 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 119.828 1.195 . . . . 0.0 112.131 171.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.71 69.41 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -170.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -17.45 62.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.53 -27.21 66.0 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.451 -1.405 . . . . 0.0 114.165 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -75.6 -24.65 56.56 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.749 -1.22 . . . . 0.0 113.866 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.4 m -88.3 -13.81 39.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.816 1.246 . . . . 0.0 114.021 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.57 144.24 57.35 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 119.591 1.087 . . . . 0.0 111.5 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -141.17 166.0 25.99 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 127.283 2.233 . . . . 0.0 110.128 171.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.44 124.33 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 124.525 1.13 . . . . 0.0 109.125 171.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -95.3 120.93 36.38 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.669 1.187 . . . . 0.0 110.912 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.81 97.7 6.41 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.757 1.623 . . . . 0.0 108.206 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -81.63 114.79 20.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.291 0.567 . . . . 0.0 110.298 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.05 -4.43 41.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.569 1.147 . . . . 0.0 113.463 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -113.49 -13.04 12.85 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.458 1.903 . . . . 0.0 113.106 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 52.13 23.79 2.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.159 1.784 . . . . 0.0 114.268 -159.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -81.02 -29.75 35.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.629 -1.294 . . . . 0.0 113.835 -172.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.69 20.54 47.1 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-O 118.409 -1.217 . . . . 0.0 113.941 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.15 112.07 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.787 1.635 . . . . 0.0 107.07 167.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.7 p -80.53 148.91 30.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.606 1.548 . . . . 0.0 113.708 -172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -128.39 158.25 38.78 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.835 1.654 . . . . 0.0 111.028 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.29 71.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -77.33 -8.79 58.23 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.619 1.968 . . . . 0.0 114.481 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -91.85 -19.46 22.49 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.321 1.448 . . . . 0.0 112.977 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.65 111.02 23.34 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.094 1.358 . . . . 0.0 109.461 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -108.27 157.17 18.58 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.765 2.026 . . . . 0.0 112.443 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 71.3 p -82.83 163.34 21.25 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.29 -39.27 78.42 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.304 0.642 . . . . 0.0 111.81 169.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.46 -29.39 64.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.74 -18.81 56.13 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.619 1.1 . . . . 0.0 113.346 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.2 mt -90.57 -0.07 57.54 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.367 1.467 . . . . 0.0 112.67 168.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.06 23.71 76.97 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.736 1.16 . . . . 0.0 114.414 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.4 mt -81.43 133.99 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 119.441 1.62 . . . . 0.0 110.917 -172.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -108.44 -42.09 4.67 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.436 1.494 . . . . 0.0 112.929 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.7 p -158.23 163.36 37.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 119.115 0.871 . . . . 0.0 112.718 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.66 136.24 54.02 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 125.754 1.622 . . . . 0.0 108.782 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -86.61 142.05 28.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.093 0.957 . . . . 0.0 111.267 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -94.18 -7.58 41.86 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.72 143.42 36.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.397 0.999 . . . . 0.0 111.77 170.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -150.05 169.77 20.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.553 1.141 . . . . 0.0 112.512 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -113.07 138.9 49.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.642 1.977 . . . . 0.0 108.929 164.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.16 124.92 28.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 165.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.55 -26.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 45.94 41.71 8.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.658 1.983 . . . . 0.0 114.969 170.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -75.74 128.31 34.91 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.836 1.654 . . . . 0.0 111.41 -174.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.99 144.21 48.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.67 0.788 . . . . 0.0 110.645 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 68.0 mt -115.75 4.85 14.07 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.02 1.328 . . . . 0.0 113.568 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 73.44 13.99 79.67 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 125.893 1.711 . . . . 0.0 116.649 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -141.61 2.39 1.61 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -174.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.44 31.78 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 125.691 1.615 . . . . 0.0 114.856 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -89.4 154.12 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.345 1.572 . . . . 0.0 112.053 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.5 m -134.16 129.41 35.81 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.39 1.076 . . . . 0.0 110.297 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.97 101.61 13.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.048 0.939 . . . . 0.0 109.453 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.97 -52.38 13.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.954 0.901 . . . . 0.0 112.764 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -133.82 137.3 45.0 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.925 1.69 . . . . 0.0 109.999 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -130.59 138.18 50.01 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.28 1.032 . . . . 0.0 112.581 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.43 -154.35 6.16 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 126.946 2.213 . . . . 0.0 111.324 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.1 m -131.54 161.39 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.953 0.901 . . . . 0.0 113.217 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.38 159.48 30.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.067 1.747 . . . . 0.0 109.838 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.0 m -112.42 132.71 54.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.839 1.256 . . . . 0.0 111.161 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.56 160.42 15.42 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.515 1.526 . . . . 0.0 112.115 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -63.05 -16.35 59.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -77.9 -2.28 35.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 169.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.24 -3.88 86.47 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.244 1.878 . . . . 0.0 115.256 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 18.8 m -85.97 152.5 22.88 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.52 1.528 . . . . 0.0 110.938 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.2 p -111.77 140.45 46.4 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.952 1.301 . . . . 0.0 112.943 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -131.89 161.54 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.361 1.864 . . . . 0.0 110.96 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.3 141.52 33.99 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.394 1.078 . . . . 0.0 113.144 -167.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -145.98 163.65 34.52 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.722 0.809 . . . . 0.0 111.643 167.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.97 178.79 48.91 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 121.223 -0.513 . . . . 0.0 114.258 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.48 121.16 41.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.08 1.352 . . . . 0.0 110.847 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.6 123.67 46.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.369 1.468 . . . . 0.0 111.493 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.2 mt -78.48 125.94 30.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 159.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.323 -0.552 0 C-N-CA 123.511 0.724 . . . . 0.0 111.65 -169.573 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.286 0 CA-C-O 118.876 -0.552 . . . . 0.0 112.387 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.27 127.14 30.04 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 119.183 0.901 . . . . 0.0 112.366 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.43 149.06 52.28 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.875 2.47 . . . . 0.0 111.888 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -119.46 138.63 53.01 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.521 1.928 . . . . 0.0 110.867 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 10' ' ' GLY . 17.7 t0 -81.39 98.86 8.4 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 109.652 166.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.85 -30.8 17.67 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -170.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -96.97 -10.88 25.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.87 44.97 3.74 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 164.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -142.95 17.62 1.95 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' H ' ' CG ' ' A' ' 5' ' ' ASP . . . 110.29 158.61 16.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 126.93 2.205 . . . . 0.0 114.715 176.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -72.79 126.45 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -147.36 158.34 43.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.263 1.025 . . . . 0.0 113.12 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 p -143.33 165.11 28.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.519 -0.247 0 C-N-CA 126.024 1.73 . . . . 0.0 112.1 172.135 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.0 153.73 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 124.544 1.138 . . . . 0.0 112.631 166.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.84 151.72 10.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.909 -0.494 . . . . 0.0 111.994 166.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.21 66.0 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.129 -0.982 . . . . 0.0 113.178 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -81.53 -2.24 49.13 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -106.98 -170.87 1.78 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.722 2.009 . . . . 0.0 111.145 166.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.82 164.91 37.71 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 115.492 0.957 . . . . 0.0 115.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.78 140.8 35.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.173 1.389 . . . . 0.0 111.033 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.25 128.63 34.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.381 0.672 . . . . 0.0 110.183 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.09 167.35 4.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 124.585 1.154 . . . . 0.0 113.567 -170.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.93 146.22 22.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.207 1.803 . . . . 0.0 111.039 166.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -77.66 130.6 37.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.431 0.692 . . . . 0.0 111.481 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.21 -7.56 18.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.022 1.729 . . . . 0.0 114.783 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.26 10.48 4.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -172.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.08 18.28 78.76 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 116.817 1.487 . . . . 0.0 116.817 170.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -99.83 -1.11 38.35 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.01 -5.22 50.55 Favored Glycine 0 C--O 1.222 -0.596 0 C-N-CA 126.48 1.991 . . . . 0.0 116.965 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 pt -123.03 165.7 18.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 C-N-CA 125.439 1.495 . . . . 0.0 111.609 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.58 120.1 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.686 1.195 . . . . 0.0 109.944 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -151.44 -20.74 0.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -97.94 148.4 23.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.85 1.205 . . . . 0.0 111.232 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.89 -28.98 69.38 Favored Glycine 0 C--N 1.339 0.728 0 O-C-N 120.705 -1.247 . . . . 0.0 115.024 -173.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.97 -8.12 59.17 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.32 -21.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.665 1.186 . . . . 0.0 113.201 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.6 mt -76.72 154.53 34.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.092 1.357 . . . . 0.0 109.611 161.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.4 m-85 -88.76 112.21 22.91 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.452 -1.405 . . . . 0.0 110.906 174.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.24 -165.74 32.97 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.937 1.256 . . . . 0.0 112.279 -175.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -78.55 17.44 0.68 Allowed 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -105.11 -10.89 16.86 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.127 1.371 . . . . 0.0 112.546 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 m -71.95 136.92 47.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.542 1.537 . . . . 0.0 110.352 169.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -88.77 144.65 26.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.611 1.164 . . . . 0.0 111.917 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.74 169.64 17.46 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.842 2.057 . . . . 0.0 109.708 164.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -24.2 66.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.72 -9.58 59.79 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.78 -7.7 63.21 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.79 1.662 . . . . 0.0 116.707 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.9 p -75.55 159.44 31.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 119.362 1.581 . . . . 0.0 112.254 168.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -78.67 148.7 33.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.591 -1.318 . . . . 0.0 112.667 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 151.11 47.45 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.681 1.193 . . . . 0.0 111.977 170.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -69.02 -35.58 76.8 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 177.62 9.31 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.357 1.863 . . . . 0.0 111.566 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.97 90.5 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 125.403 1.478 . . . . 0.0 115.472 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 119.602 1.701 . . . . 0.0 113.372 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.39 -35.45 54.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.813 -1.18 . . . . 0.0 112.402 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.4 84.25 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.757 1.223 . . . . 0.0 113.587 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.95 -33.31 45.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.956 0.902 . . . . 0.0 112.411 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -21.94 66.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -58.52 -18.91 33.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.817 1.247 . . . . 0.0 114.204 171.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.85 -2.18 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.14 118.6 19.05 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 119.936 1.244 . . . . 0.0 110.465 172.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.7 p -89.67 -25.65 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -168.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -111.11 -17.83 13.15 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.39 1.476 . . . . 0.0 113.565 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.56 27.47 38.92 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 118.997 0.817 . . . . 0.0 114.173 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -80.31 -1.04 39.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.345 1.572 . . . . 0.0 113.76 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.41 18.41 5.54 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.057 2.143 . . . . 0.0 114.316 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -130.97 152.57 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 124.721 1.208 . . . . 0.0 112.329 168.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -99.07 114.35 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 C-N-CA 124.682 1.193 . . . . 0.0 108.277 170.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -147.04 172.33 13.91 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.385 1.474 . . . . 0.0 111.446 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 -167.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.01 60.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.8 132.42 35.28 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.921 1.288 . . . . 0.0 111.783 166.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.64 67.39 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -171.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.23 -19.19 51.3 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.38 -44.18 79.93 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 120.232 1.378 . . . . 0.0 114.266 -168.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -78.9 -8.64 59.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 120.75 -1.219 . . . . 0.0 113.557 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -91.04 -25.83 19.48 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.594 1.557 . . . . 0.0 113.143 170.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.0 153.61 29.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.163 0.892 . . . . 0.0 111.253 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -134.24 163.02 30.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.581 1.552 . . . . 0.0 109.265 172.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.3 t -117.83 130.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -105.04 122.43 45.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.05 1.34 . . . . 0.0 110.266 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.86 98.26 6.73 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.151 1.38 . . . . 0.0 108.632 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.38 100.12 7.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.808 0.813 . . . . 0.0 110.043 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.99 -18.1 64.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.52 5.56 18.02 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 170.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 55.46 29.14 12.73 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 127.784 2.434 . . . . 0.0 115.652 169.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -93.74 -16.5 24.15 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 120.936 -1.103 . . . . 0.0 113.571 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.69 17.45 72.99 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.525 1.057 . . . . 0.0 114.309 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.63 129.92 57.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 118.794 1.297 . . . . 0.0 107.532 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -96.73 138.82 33.71 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.224 -0.922 . . . . 0.0 113.249 -164.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -141.2 151.2 43.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.512 1.525 . . . . 0.0 111.008 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -34.08 72.39 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -58.0 -23.58 54.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -94.22 -4.58 48.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.441 1.496 . . . . 0.0 113.127 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -98.87 151.82 20.42 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.323 1.449 . . . . 0.0 112.292 -177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.24 150.55 42.78 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 126.143 1.777 . . . . 0.0 111.39 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -77.51 156.68 30.84 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.886 1.674 . . . . 0.0 111.742 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.32 -36.73 85.07 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 121.582 -0.699 . . . . 0.0 111.925 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.99 -37.25 86.71 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.83 -30.36 70.97 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -87.43 -5.08 58.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.89 24.32 67.18 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.535 1.061 . . . . 0.0 115.102 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.36 128.66 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.745 1.218 . . . . 0.0 109.925 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.6 -47.22 7.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.467 1.507 . . . . 0.0 111.555 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 70.9 p -162.18 164.34 27.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.203 1.001 . . . . 0.0 113.039 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.58 138.06 51.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.517 1.927 . . . . 0.0 110.627 173.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.38 143.64 44.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.155 0.889 . . . . 0.0 112.469 170.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -97.91 -2.72 40.05 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.586 1.154 . . . . 0.0 113.406 162.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.78 139.73 38.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.072 0.949 . . . . 0.0 111.159 167.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -155.22 163.73 39.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.599 1.16 . . . . 0.0 112.824 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.56 140.3 47.43 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.47 2.308 . . . . 0.0 110.486 166.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -75.0 114.36 13.38 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 118.767 0.712 . . . . 0.0 110.284 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.41 -25.52 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 C-N-CA 124.5 1.12 . . . . 0.0 113.589 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.4 m120 48.86 39.65 14.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.517 1.927 . . . . 0.0 115.486 167.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -81.54 115.68 20.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.629 1.172 . . . . 0.0 110.787 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -73.37 121.55 20.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 159.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.14 -9.79 59.0 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 87.73 17.17 58.72 Favored Glycine 0 C--O 1.218 -0.874 0 C-N-CA 125.182 1.373 . . . . 0.0 114.233 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -140.87 7.24 2.05 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.36 1.464 . . . . 0.0 114.768 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.22 -26.15 19.69 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.12 1.819 . . . . 0.0 114.532 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.01 159.9 15.89 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 119.741 1.77 . . . . 0.0 112.367 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.5 m -139.34 134.01 31.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.127 -0.983 . . . . 0.0 111.627 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.7 tp -108.76 107.8 18.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.61 1.164 . . . . 0.0 109.717 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.82 -48.89 8.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.11 146.92 50.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.51 1.524 . . . . 0.0 110.708 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -138.44 135.08 34.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.64 0.776 . . . . 0.0 113.006 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.39 -148.85 5.48 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.909 2.671 . . . . 0.0 110.882 170.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.3 p -141.05 168.06 20.69 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.037 0.922 . . . . 0.0 113.303 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -135.86 159.2 42.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 126.28 1.832 . . . . 0.0 110.765 171.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.5 m -116.14 134.85 54.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -102.14 158.39 16.2 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 111.97 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.1 p -66.3 -25.78 67.01 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -82.75 24.95 0.69 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.836 1.654 . . . . 0.0 114.197 172.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.3 -8.12 54.2 Favored Glycine 0 C--N 1.341 0.852 0 N-CA-C 117.056 1.582 . . . . 0.0 117.056 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 58.8 p -83.36 155.43 23.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 119.952 1.876 . . . . 0.0 112.431 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.9 p -120.31 150.15 41.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.877 0.871 . . . . 0.0 111.481 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.72 162.37 36.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.722 1.209 . . . . 0.0 111.881 -173.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.17 140.15 37.82 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.126 0.97 . . . . 0.0 113.312 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -143.78 159.81 41.85 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.033 0.933 . . . . 0.0 111.206 166.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -173.11 168.17 41.11 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 114.257 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -88.14 104.92 17.14 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.424 1.089 . . . . 0.0 110.65 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -108.76 112.2 24.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.77 2.028 . . . . 0.0 109.035 -170.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.1 mt -81.32 124.12 29.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.978 1.311 . . . . 0.0 109.824 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.45 -0.472 0 C-N-CA 125.694 1.597 . . . . 0.0 109.855 -166.398 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.472 0.21 0 N-CA-C 112.653 0.213 . . . . 0.0 112.653 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.38 122.1 15.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.79 150.86 38.44 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.102 2.161 . . . . 0.0 111.158 170.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.88 138.94 51.18 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.533 1.533 . . . . 0.0 110.203 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -79.07 107.11 11.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.001 0.92 . . . . 0.0 109.555 168.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.73 -24.11 31.31 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -113.91 -8.32 13.13 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.56 40.8 4.94 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 120.256 1.389 . . . . 0.0 115.333 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -136.3 23.39 3.23 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.976 1.388 . . . . 0.0 114.409 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.4 171.68 48.36 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.504 2.002 . . . . 0.0 113.165 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -91.91 118.89 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 118.517 1.159 . . . . 0.0 109.391 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -88.5 140.28 29.62 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.331 1.052 . . . . 0.0 111.993 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.9 p -126.08 152.71 45.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.802 1.241 . . . . 0.0 112.323 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.444 -0.762 0 C-N-CA 127.339 2.256 . . . . 0.0 111.106 -173.202 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.718 0.771 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.41 135.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.376 1.07 . . . . 0.0 110.442 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.5 t -62.29 156.28 22.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.864 1.266 . . . . 0.0 112.146 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.54 -10.49 18.32 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.981 0.913 . . . . 0.0 113.402 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.32 -24.5 67.88 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.185 1.794 . . . . 0.0 113.653 168.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -137.98 -172.51 3.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.985 2.514 . . . . 0.0 111.969 -172.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.91 161.49 32.41 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.4 140.02 32.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.195 1.798 . . . . 0.0 111.356 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -77.47 128.89 34.97 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.654 1.182 . . . . 0.0 110.545 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.5 m -147.62 167.96 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 124.882 1.273 . . . . 0.0 112.633 -170.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -159.43 135.15 8.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.991 1.316 . . . . 0.0 111.137 163.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -71.22 130.81 42.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.936 1.295 . . . . 0.0 112.176 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.54 -4.84 20.74 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 126.033 1.733 . . . . 0.0 115.149 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -137.93 20.29 2.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.12 12.99 61.39 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 118.418 -1.212 . . . . 0.0 116.067 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -85.97 1.69 49.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.151 1.475 . . . . 0.0 113.8 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.77 -1.94 87.94 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 126.187 1.851 . . . . 0.0 116.186 170.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -140.96 161.15 23.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 124.856 1.262 . . . . 0.0 112.711 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mm -92.84 107.73 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 125.377 1.471 . . . . 0.0 108.286 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -151.5 -2.01 0.32 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.88 16.41 25.21 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 121.329 1.877 . . . . 0.0 115.066 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.05 -37.8 1.75 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 126.32 1.914 . . . . 0.0 116.882 165.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.86 5.75 50.66 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.412 1.885 . . . . 0.0 114.151 172.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.11 -3.28 54.45 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.932 1.293 . . . . 0.0 114.313 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.2 pt? -125.84 149.85 48.31 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 128.173 2.589 . . . . 0.0 110.176 171.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 97.3 m-85 -84.96 110.94 19.25 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.244 1.018 . . . . 0.0 113.263 -161.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.24 -158.53 20.01 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.763 1.173 . . . . 0.0 113.074 -174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.53 -16.66 61.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -87.32 -2.16 58.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.992 -1.067 . . . . 0.0 112.867 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.3 m -85.41 137.3 33.02 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 125.297 1.439 . . . . 0.0 110.89 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.77 152.0 23.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.908 0.883 . . . . 0.0 113.32 171.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.2 mt -92.62 174.85 7.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.446 2.299 . . . . 0.0 111.036 171.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.37 67.26 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -89.14 -5.58 57.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.816 1.189 . . . . 0.0 113.967 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.47 60.44 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 126.646 2.07 . . . . 0.0 115.969 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -65.72 152.63 43.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.097 1.449 . . . . 0.0 111.318 170.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -78.29 144.64 35.95 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 120.011 1.278 . . . . 0.0 112.212 173.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.71 150.24 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 111.28 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.57 -46.25 73.23 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.662 -0.649 . . . . 0.0 112.327 173.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.435 ' CB ' HE22 ' A' ' 149' ' ' GLN . 14.7 p80 -157.6 170.12 23.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.81 1.244 . . . . 0.0 112.304 -164.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.02 74.37 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 115.555 0.982 . . . . 0.0 115.555 -173.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -70.11 -44.79 68.25 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 118.011 0.906 . . . . 0.0 112.461 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.89 85.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.176 0.59 . . . . 0.0 111.915 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.39 98.74 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 124.238 1.015 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -77.67 -35.5 52.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.911 -1.118 . . . . 0.0 113.132 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.49 -16.42 55.49 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -60.95 -22.15 64.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.202 1.401 . . . . 0.0 114.041 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 mt -94.91 -0.7 53.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -76.76 120.34 21.78 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.895 0.855 . . . . 0.0 111.652 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 m -66.65 -37.69 85.33 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.756 1.223 . . . . 0.0 113.588 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -112.85 -16.54 12.71 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.78 45.44 17.05 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 119.461 1.028 . . . . 0.0 112.645 -171.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -111.17 9.6 21.87 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 126.058 1.743 . . . . 0.0 113.392 -171.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 68.65 15.29 9.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.101 2.16 . . . . 0.0 115.856 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.4 pt -135.59 151.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.2 mm -106.3 116.91 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 C-N-CA 124.74 1.216 . . . . 0.0 108.116 159.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -144.33 -172.81 3.86 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.974 1.31 . . . . 0.0 111.352 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.79 -13.11 3.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.8 -27.81 58.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 120.828 1.649 . . . . 0.0 113.753 169.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.66 136.08 36.72 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.28 1.032 . . . . 0.0 111.993 175.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.86 88.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.764 -1.21 . . . . 0.0 112.155 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.334 1.054 . . . . 0.0 113.75 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.25 -28.97 56.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 120.042 1.292 . . . . 0.0 113.066 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -81.7 -27.38 33.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.1 p -103.43 -15.9 15.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.565 1.546 . . . . 0.0 114.625 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.21 146.82 52.57 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.089 1.356 . . . . 0.0 111.74 171.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -137.42 169.1 18.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.535 1.934 . . . . 0.0 110.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.0 t -122.99 132.56 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 125.048 1.339 . . . . 0.0 109.252 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -107.13 126.89 52.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.931 1.292 . . . . 0.0 111.64 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -115.1 103.83 11.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.406 1.483 . . . . 0.0 109.267 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -75.87 82.09 2.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.954 0.797 . . . . 0.0 111.263 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -24.01 63.09 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -161.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -112.13 -7.26 14.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.22 1.808 . . . . 0.0 113.834 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.273 21.4 mp0 47.41 60.37 3.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.463 1.905 . . . . 0.0 114.441 -168.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -92.95 -10.17 37.36 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.536 1.134 . . . . 0.0 113.143 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.76 17.84 76.99 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 124.907 1.241 . . . . 0.0 115.114 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.12 129.2 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.477 1.911 . . . . 0.0 108.308 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -85.02 135.33 34.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.139 0.976 . . . . 0.0 111.181 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -125.32 147.8 48.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.832 1.653 . . . . 0.0 108.936 169.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.46 -30.24 68.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -56.14 -30.1 61.67 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.879 1.672 . . . . 0.0 113.392 171.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -88.05 -3.29 58.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.999 1.32 . . . . 0.0 114.327 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.16 150.86 21.2 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 124.501 1.12 . . . . 0.0 110.954 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -136.43 150.3 48.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.822 2.049 . . . . 0.0 110.798 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.1 p -72.18 160.82 31.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.513 1.525 . . . . 0.0 111.702 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.75 -34.74 76.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.354 -0.842 . . . . 0.0 111.124 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.51 -41.98 88.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -175.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -75.54 -18.35 59.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.4 6.32 27.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.74 1.216 . . . . 0.0 112.505 167.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 63.71 23.58 67.29 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 123.989 0.804 . . . . 0.0 114.077 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.81 134.72 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 118.688 1.244 . . . . 0.0 109.191 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -106.17 -47.83 3.73 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.272 1.429 . . . . 0.0 111.734 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.0 p -155.26 154.26 31.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.993 -1.067 . . . . 0.0 112.341 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.76 134.49 53.29 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.989 1.315 . . . . 0.0 108.938 166.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -83.3 146.84 28.3 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 171.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.92 -2.71 31.21 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.308 1.043 . . . . 0.0 113.76 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.42 138.47 35.56 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.763 1.225 . . . . 0.0 111.909 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -150.11 163.71 37.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.221 1.008 . . . . 0.0 112.48 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -123.13 143.01 50.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.898 1.679 . . . . 0.0 110.73 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.21 121.61 18.69 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.965 164.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.25 -21.95 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 C-N-CA 125.365 1.466 . . . . 0.0 114.484 -175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.8 m120 49.08 36.76 9.3 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 126.184 1.793 . . . . 0.0 115.43 169.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -79.02 139.05 38.27 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.516 1.127 . . . . 0.0 112.099 -172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.44 128.61 34.79 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.985 0.514 . . . . 0.0 109.879 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.98 -27.74 13.73 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 117.03 156.68 10.59 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 125.253 1.406 . . . . 0.0 112.026 -166.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.8 m120 54.29 24.87 5.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.794 2.037 . . . . 0.0 113.438 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.79 20.05 73.92 Favored Glycine 0 CA--C 1.528 0.871 0 O-C-N 120.912 -1.117 . . . . 0.0 115.277 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -91.16 124.95 35.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 117.941 0.87 . . . . 0.0 109.819 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -103.84 134.14 47.63 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.033 0.933 . . . . 0.0 110.699 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.07 94.07 9.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.767 1.227 . . . . 0.0 107.955 165.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.56 67.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 123.226 0.61 . . . . 0.0 112.147 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.435 HE22 ' CB ' ' A' ' 76' ' ' HIS . 37.8 mt-30 -133.76 138.88 46.0 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.747 1.619 . . . . 0.0 110.48 -173.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -131.64 145.68 51.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.89 1.276 . . . . 0.0 113.249 -169.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.81 -157.04 8.29 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 126.854 2.169 . . . . 0.0 112.558 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 m -133.6 162.64 31.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.751 1.62 . . . . 0.0 114.135 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -137.33 157.75 45.94 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.455 1.902 . . . . 0.0 111.005 169.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.5 m -110.61 140.65 44.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.807 1.643 . . . . 0.0 111.567 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -102.57 159.74 15.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.383 1.873 . . . . 0.0 112.897 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.2 p -66.58 -19.36 65.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.502 1.521 . . . . 0.0 113.938 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -78.35 0.93 23.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.204 1.402 . . . . 0.0 114.444 169.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.04 -5.33 84.38 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.745 1.641 . . . . 0.0 115.237 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 31.1 p -77.55 165.72 23.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 119.534 1.667 . . . . 0.0 112.177 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 60.0 p -127.22 153.53 45.98 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.15 0.98 . . . . 0.0 111.403 173.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.92 164.7 31.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.026 0.931 . . . . 0.0 110.88 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -75.59 153.93 37.03 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 122.612 1.196 . . . . 0.0 113.242 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.1 ptm -147.71 166.57 27.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.945 1.298 . . . . 0.0 109.831 166.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.19 172.61 41.93 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 121.369 -0.832 . . . . 0.0 114.795 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -82.38 105.85 13.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.203 1.001 . . . . 0.0 109.922 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.2 123.6 48.29 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.895 2.078 . . . . 0.0 109.584 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.87 134.13 35.1 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 112.342 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.445 -0.693 0 C-N-CA 126.725 2.01 . . . . 0.0 114.632 -163.609 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 8.7 Cg_exo . . . . . 0 CA--C 1.517 -0.352 0 N-CA-C 112.514 0.159 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.89 125.85 27.23 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 121.505 -0.747 . . . . 0.0 112.637 -174.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.19 144.26 49.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 127.634 2.374 . . . . 0.0 110.756 174.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -116.23 138.3 51.41 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.047 1.739 . . . . 0.0 110.967 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -79.22 114.02 17.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.801 1.24 . . . . 0.0 110.349 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.87 -27.33 22.27 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -168.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -110.91 -5.83 14.81 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.26 33.56 11.7 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-O 118.37 -1.239 . . . . 0.0 115.246 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -123.54 16.9 9.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 120.29 2.045 . . . . 0.0 114.75 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.4 158.07 28.91 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 125.896 1.713 . . . . 0.0 113.501 -172.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.76 122.24 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 124.148 0.979 . . . . 0.0 108.584 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -100.61 149.56 23.62 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.964 1.306 . . . . 0.0 111.886 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 p -134.89 166.92 21.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.121 1.368 . . . . 0.0 112.221 -173.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.441 -0.887 0 C-N-CA 125.762 1.625 . . . . 0.0 109.63 169.149 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 122.248 1.023 . . . . 0.0 113.29 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.95 141.5 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.742 1.217 . . . . 0.0 109.913 165.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -60.97 153.8 24.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.072 -1.017 . . . . 0.0 112.073 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.81 16.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 169.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.88 -31.67 72.75 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.799 1.24 . . . . 0.0 113.071 172.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -122.05 -170.65 2.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.012 2.125 . . . . 0.0 111.673 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.66 161.51 32.3 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 115.836 1.094 . . . . 0.0 115.836 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.44 138.04 31.89 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.891 1.676 . . . . 0.0 111.304 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.57 129.08 37.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.859 0.864 . . . . 0.0 110.157 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -143.8 167.63 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 124.572 1.149 . . . . 0.0 112.909 -174.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -145.76 130.91 18.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 126.622 1.969 . . . . 0.0 111.218 171.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -79.74 115.04 19.11 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.31 0.644 . . . . 0.0 111.596 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -89.94 -0.31 57.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 114.823 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -139.3 3.08 2.12 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 17.44 77.05 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -83.76 -3.78 58.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 118.956 1.378 . . . . 0.0 114.589 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.8 4.96 90.31 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-O 118.069 -1.406 . . . . 0.0 115.634 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.1 pt -132.44 164.23 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 125.833 1.653 . . . . 0.0 112.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -97.8 119.71 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 124.65 1.18 . . . . 0.0 109.524 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -132.24 -1.67 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -172.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.23 150.27 35.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.622 1.169 . . . . 0.0 112.086 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.26 -18.45 49.43 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.787 1.184 . . . . 0.0 114.776 175.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -19.21 65.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.996 1.719 . . . . 0.0 114.727 170.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -93.85 -10.55 33.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.964 1.705 . . . . 0.0 113.177 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.95 165.12 22.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.11 1.764 . . . . 0.0 110.609 164.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 59.8 m-85 -100.12 105.23 16.83 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.618 -0.676 . . . . 0.0 110.159 163.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.28 -162.61 27.38 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 125.377 1.465 . . . . 0.0 113.697 -169.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -75.48 10.83 1.47 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -124.38 2.89 8.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.562 1.545 . . . . 0.0 113.571 170.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -76.07 152.04 36.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 120.459 -1.401 . . . . 0.0 111.204 167.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -94.66 161.22 14.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.36 179.21 4.33 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 128.876 2.87 . . . . 0.0 110.609 174.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.66 -29.39 69.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -89.26 7.89 33.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 119.278 0.944 . . . . 0.0 112.79 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.84 86.65 Favored Glycine 0 N--CA 1.443 -0.892 0 O-C-N 120.622 -1.299 . . . . 0.0 115.704 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.97 150.05 48.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 119.385 1.592 . . . . 0.0 110.309 167.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -78.71 142.88 36.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.489 -0.757 . . . . 0.0 110.401 171.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.52 149.97 47.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.76 0.824 . . . . 0.0 112.006 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -81.97 -26.94 33.51 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -154.06 167.38 30.01 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.258 1.423 . . . . 0.0 112.415 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.36 -29.52 74.31 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.234 -0.916 . . . . 0.0 115.355 -168.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -74.61 -37.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 118.703 1.252 . . . . 0.0 112.012 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.08 82.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.81 0.732 . . . . 0.0 112.514 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.43 97.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.428 1.091 . . . . 0.0 112.899 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.6 tp -76.25 -37.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.88 -19.61 65.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -172.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.73 -23.38 66.73 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.307 1.443 . . . . 0.0 113.466 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.6 mt -85.29 -3.05 58.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -174.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -68.15 119.51 12.85 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 121.068 -1.02 . . . . 0.0 110.203 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.0 p -81.09 -37.08 29.56 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.764 1.226 . . . . 0.0 114.1 -171.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -110.54 -21.11 12.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.05 1.74 . . . . 0.0 113.691 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.39 67.42 1.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 O-C-N 121.331 -0.856 . . . . 0.0 112.464 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -122.53 -2.14 8.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.65 1.58 . . . . 0.0 113.437 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.16 25.03 10.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.869 2.068 . . . . 0.0 114.998 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -132.47 147.14 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 124.785 1.234 . . . . 0.0 111.158 166.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm -98.16 110.51 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -142.48 169.66 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 126.623 1.969 . . . . 0.0 110.89 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.71 -16.1 24.62 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -166.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.36 -21.65 49.13 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.81 1.186 . . . . 0.0 114.108 171.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.98 125.58 27.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 120.159 1.345 . . . . 0.0 111.334 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.07 73.48 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.28 -18.04 62.44 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.47 -34.7 62.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 119.188 0.904 . . . . 0.0 112.366 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.65 -20.42 65.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.702 1.201 . . . . 0.0 113.746 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 m -98.84 -6.21 29.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.118 1.367 . . . . 0.0 114.09 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.38 136.63 44.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.804 -1.185 . . . . 0.0 111.427 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -139.24 171.9 13.61 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.049 1.739 . . . . 0.0 110.56 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -118.89 131.8 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 124.034 0.934 . . . . 0.0 110.141 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -100.55 120.8 40.57 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.366 1.467 . . . . 0.0 110.451 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -112.97 98.35 7.12 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.628 1.171 . . . . 0.0 108.581 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -73.29 112.96 9.84 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.969 0.804 . . . . 0.0 109.742 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.4 mt -80.18 -7.08 58.78 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -170.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -114.36 -10.9 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 52.65 54.07 11.18 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.061 1.745 . . . . 0.0 112.766 -170.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -108.74 -15.56 14.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.686 1.194 . . . . 0.0 112.836 171.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.15 78.89 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 120.881 -1.137 . . . . 0.0 112.887 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.78 112.72 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 126.147 1.779 . . . . 0.0 106.394 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.16 146.36 27.15 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.058 -1.027 . . . . 0.0 113.23 -167.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -132.19 151.47 51.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.123 1.769 . . . . 0.0 109.171 169.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.56 71.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.497 -1.377 . . . . 0.0 114.067 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -63.01 -19.71 64.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.34 -10.16 59.19 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.079 1.352 . . . . 0.0 113.046 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.78 142.15 29.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.503 0.721 . . . . 0.0 111.592 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -137.03 150.63 48.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.771 2.028 . . . . 0.0 111.244 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.2 p -77.59 164.95 24.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.787 1.235 . . . . 0.0 112.167 174.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.48 -48.07 68.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.155 -0.966 . . . . 0.0 112.312 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.49 -33.63 74.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.69 0.796 . . . . 0.0 113.035 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.73 -20.64 63.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 119.499 1.045 . . . . 0.0 113.279 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.8 mt -97.58 2.85 50.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.433 1.893 . . . . 0.0 113.493 171.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.91 17.6 80.18 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 124.825 1.202 . . . . 0.0 115.674 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 33.6 mt -84.25 137.49 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 119.497 1.649 . . . . 0.0 109.777 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -127.01 -42.01 1.76 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 p -159.48 154.77 25.37 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 120.5 1.5 . . . . 0.0 112.084 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -109.47 133.36 53.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.574 1.149 . . . . 0.0 111.427 -174.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -93.14 118.58 31.38 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.829 1.252 . . . . 0.0 111.589 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.67 28.87 0.74 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -106.01 115.14 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.814 1.646 . . . . 0.0 109.753 167.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.98 147.59 34.12 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.864 1.266 . . . . 0.0 112.846 -168.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -111.89 135.22 52.81 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.679 1.992 . . . . 0.0 110.573 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.51 126.28 29.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.454 1.502 . . . . 0.0 110.739 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.42 -30.41 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 -172.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 44.22 50.14 7.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.886 2.075 . . . . 0.0 115.684 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -89.12 143.94 26.49 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.265 1.826 . . . . 0.0 112.793 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.0 138.55 38.88 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.572 -0.705 . . . . 0.0 111.034 161.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 81.1 mt -119.07 -4.81 10.55 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.657 1.583 . . . . 0.0 114.24 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 158.55 178.37 32.51 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 111.838 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -65.74 110.35 2.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 117.98 0.89 . . . . 0.0 110.427 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.75 7.78 88.06 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.42 124.16 49.97 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 120.08 1.94 . . . . 0.0 111.68 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -132.81 136.06 46.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.226 1.01 . . . . 0.0 110.64 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.25 105.95 15.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.488 1.515 . . . . 0.0 109.351 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.43 -47.59 26.62 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.904 0.882 . . . . 0.0 112.317 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -138.41 154.42 48.9 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.398 1.479 . . . . 0.0 111.175 -174.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -143.18 144.19 32.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -161.94 -151.73 6.43 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 126.945 2.212 . . . . 0.0 112.716 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 30.8 m -141.36 171.14 14.48 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.941 1.696 . . . . 0.0 112.611 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -135.36 160.35 38.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.273 1.829 . . . . 0.0 111.566 170.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 54.7 m -94.68 136.24 35.21 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 125.69 1.596 . . . . 0.0 111.202 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -95.96 156.18 16.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 126.407 1.883 . . . . 0.0 112.948 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.9 p -61.51 -22.76 65.41 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.164 1.386 . . . . 0.0 113.906 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -88.54 8.4 28.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.85 0.86 90.48 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 116.767 1.467 . . . . 0.0 116.767 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.4 p -90.64 -179.59 5.58 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 118.642 1.221 . . . . 0.0 112.301 172.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 77.1 p -122.79 159.54 27.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.519 1.128 . . . . 0.0 111.952 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.64 163.96 33.23 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.558 1.543 . . . . 0.0 110.692 170.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.57 154.96 36.44 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -150.81 168.68 23.7 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.06 1.344 . . . . 0.0 111.591 167.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.0 171.19 43.67 Favored Glycine 0 N--CA 1.446 -0.663 0 O-C-N 121.255 -0.903 . . . . 0.0 115.154 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -89.92 104.66 17.2 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 125.866 1.666 . . . . 0.0 109.638 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.8 tt -115.73 124.63 51.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 110.151 -169.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 31.1 mt -81.24 135.41 35.73 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.079 1.352 . . . . 0.0 112.008 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.45 -0.446 0 C-N-CA 125.82 1.648 . . . . 0.0 111.316 -169.672 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 112.699 0.23 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.23 121.34 13.46 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.179 0.991 . . . . 0.0 112.831 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.0 148.51 32.39 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.724 2.41 . . . . 0.0 111.659 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -119.42 134.75 55.07 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.154 1.782 . . . . 0.0 109.721 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.16 106.1 10.96 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 125.652 1.581 . . . . 0.0 109.541 167.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.1 -31.62 19.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.808 -1.183 . . . . 0.0 113.077 -166.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -98.02 -2.42 40.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.95 1.3 . . . . 0.0 114.349 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.16 43.69 7.4 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 115.874 1.11 . . . . 0.0 115.874 164.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -138.19 13.75 2.83 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.23 149.18 19.72 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 126.763 2.125 . . . . 0.0 113.117 -176.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.71 123.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.023 0.929 . . . . 0.0 109.286 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -108.24 152.85 24.04 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 112.821 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 p -135.44 157.99 45.51 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.246 1.418 . . . . 0.0 112.422 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 CA--C 1.515 -0.384 0 C-N-CA 125.515 1.526 . . . . 0.0 111.866 178.65 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 121.613 0.72 . . . . 0.0 112.837 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.7 133.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.976 1.31 . . . . 0.0 111.235 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -59.65 156.33 13.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.745 1.618 . . . . 0.0 114.034 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -16.14 64.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -80.46 -18.81 47.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.265 1.426 . . . . 0.0 113.272 172.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -116.86 -178.82 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 111.87 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.99 175.88 37.62 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 116.208 1.243 . . . . 0.0 116.208 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.0 140.16 48.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.879 2.072 . . . . 0.0 112.135 -177.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 tp -80.77 129.36 34.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.93 0.892 . . . . 0.0 111.281 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -145.91 168.52 7.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 124.932 1.293 . . . . 0.0 112.761 -172.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -154.07 127.11 8.34 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.579 1.551 . . . . 0.0 111.358 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -76.7 116.45 17.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.058 0.543 . . . . 0.0 110.359 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.98 2.7 46.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.951 1.701 . . . . 0.0 113.83 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.92 -5.28 3.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.92 9.23 86.54 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -73.84 -5.08 38.78 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 120.21 2.005 . . . . 0.0 114.886 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.05 -6.87 72.93 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 126.305 1.907 . . . . 0.0 115.101 176.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 pt -132.2 167.16 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.807 1.643 . . . . 0.0 113.37 -173.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.2 mm -104.83 98.52 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.532 2.333 . . . . 0.0 109.092 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -133.88 -20.18 1.99 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -168.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -98.41 149.56 22.54 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 126.146 1.778 . . . . 0.0 111.74 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.02 -21.61 63.87 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 116.159 1.223 . . . . 0.0 116.159 -172.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.53 -9.28 59.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.751 1.22 . . . . 0.0 114.267 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -86.78 -4.25 59.15 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.795 1.238 . . . . 0.0 114.128 -170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.16 152.67 26.77 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.897 1.679 . . . . 0.0 109.385 164.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.35 106.98 18.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.689 -0.632 . . . . 0.0 111.415 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.09 -177.11 43.01 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.434 1.492 . . . . 0.0 111.726 -173.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -63.96 -10.85 23.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -169.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.47 -3.74 48.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.779 -1.826 . . . . 0.0 113.779 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -78.13 145.92 35.43 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.79 1.636 . . . . 0.0 111.811 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -99.43 140.88 32.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.153 1.381 . . . . 0.0 112.413 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.05 169.22 10.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.482 2.313 . . . . 0.0 111.567 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.3 66.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -170.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -84.69 5.16 29.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 120.085 1.311 . . . . 0.0 114.099 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.89 -3.29 82.83 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 125.862 1.696 . . . . 0.0 115.17 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -68.35 152.02 46.04 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.07 1.435 . . . . 0.0 111.4 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.83 144.97 28.09 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.452 -0.78 . . . . 0.0 112.172 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.48 142.64 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.562 1.145 . . . . 0.0 111.121 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -81.92 -25.34 35.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.55 170.4 22.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.435 1.894 . . . . 0.0 111.905 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.51 -24.75 66.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.273 0.939 . . . . 0.0 115.243 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.4 -46.6 66.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 119.005 1.403 . . . . 0.0 112.25 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.09 76.28 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 123.225 0.61 . . . . 0.0 112.567 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.72 96.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.907 0.883 . . . . 0.0 113.14 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 tp -76.67 -35.89 57.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.776 1.231 . . . . 0.0 113.12 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.56 65.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -61.38 -16.47 46.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.703 1.201 . . . . 0.0 113.694 172.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -95.91 -0.3 51.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -72.32 119.08 16.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 119.963 1.256 . . . . 0.0 109.731 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 m -88.64 -27.21 21.44 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -170.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -112.4 -10.37 13.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.34 18.07 59.57 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -79.41 -0.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 119.185 1.493 . . . . 0.0 113.968 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.268 27.8 t30 68.71 20.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.797 2.039 . . . . 0.0 115.723 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.87 150.63 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 C-N-CA 124.965 1.306 . . . . 0.0 111.971 168.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.1 113.44 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 124.748 1.219 . . . . 0.0 108.449 170.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -145.39 171.89 13.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.575 1.55 . . . . 0.0 111.43 -174.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.97 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -20.03 59.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.796 1.18 . . . . 0.0 113.997 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -72.81 142.3 48.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 120.222 1.374 . . . . 0.0 112.867 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.8 91.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -165.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.4 -17.62 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -53.9 -44.72 70.74 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -160.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -70.2 -19.42 63.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m -89.79 -12.21 39.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.708 1.603 . . . . 0.0 113.342 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.01 152.57 45.55 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 124.237 1.015 . . . . 0.0 111.413 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -140.63 165.66 26.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.817 1.647 . . . . 0.0 110.836 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.72 131.14 70.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.974 1.31 . . . . 0.0 108.811 169.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -100.87 123.55 45.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.644 1.578 . . . . 0.0 110.818 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -117.54 98.57 6.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.698 1.199 . . . . 0.0 108.284 169.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.25 118.73 15.5 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 122.047 -0.408 . . . . 0.0 110.484 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.51 -9.89 59.6 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -170.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -111.57 -3.73 15.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.392 1.477 . . . . 0.0 111.812 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 53.03 37.78 25.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.574 1.55 . . . . 0.0 112.732 -174.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -108.14 0.83 21.82 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.77 26.02 73.04 Favored Glycine 0 C--O 1.227 -0.319 0 O-C-N 120.929 -1.107 . . . . 0.0 114.975 169.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.8 mt -126.96 115.89 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.2 p -86.01 150.53 24.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -163.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -131.3 155.49 47.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.174 168.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.47 67.16 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -74.93 -10.26 59.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.17 -4.92 45.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.985 1.714 . . . . 0.0 113.695 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -97.2 149.82 21.59 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.539 1.136 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -138.45 152.88 48.72 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 127.854 2.461 . . . . 0.0 111.448 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.5 p -75.12 163.76 27.22 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 124.293 1.037 . . . . 0.0 111.979 169.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.73 -35.86 70.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.004 -1.06 . . . . 0.0 111.227 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.84 -38.14 82.8 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -73.44 -11.65 60.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.02 4.52 42.46 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 113.118 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.74 20.0 78.38 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 124.889 1.233 . . . . 0.0 115.045 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.6 mt -79.69 128.58 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 120.017 1.909 . . . . 0.0 109.799 -174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -96.6 -50.76 4.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.067 1.347 . . . . 0.0 112.365 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.9 p -160.32 157.52 28.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.59 -0.694 . . . . 0.0 112.859 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.35 133.13 53.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.686 1.194 . . . . 0.0 109.246 172.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -86.65 126.91 34.85 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.014 1.326 . . . . 0.0 110.518 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.28 -2.89 54.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.86 129.52 34.84 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.884 1.22 . . . . 0.0 112.091 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -138.27 166.4 24.28 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 125.396 1.478 . . . . 0.0 113.183 -170.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -134.48 145.62 48.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.306 1.842 . . . . 0.0 111.491 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.53 137.18 37.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.263 0.625 . . . . 0.0 111.265 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.5 m -129.59 -38.61 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 124.35 1.06 . . . . 0.0 113.182 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 46.01 48.39 12.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.507 1.523 . . . . 0.0 112.952 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -102.36 125.48 49.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.213 2.605 . . . . 0.0 112.266 -162.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.93 121.79 19.69 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.221 1.009 . . . . 0.0 111.348 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.37 -1.89 52.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.336 1.454 . . . . 0.0 113.7 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.75 174.21 35.93 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 124.688 1.137 . . . . 0.0 113.026 -167.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . 0.261 0.6 OUTLIER 50.1 18.05 0.36 Allowed 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.49 2.316 . . . . 0.0 116.222 -177.575 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.17 5.0 70.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.621 1.582 . . . . 0.0 116.33 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -97.32 153.82 17.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.499 2.149 . . . . 0.0 112.044 172.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.2 m -141.49 142.89 33.59 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.439 1.496 . . . . 0.0 110.211 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 16.2 tp -100.39 123.29 44.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.156 1.382 . . . . 0.0 109.825 172.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.35 -56.64 3.23 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.603 0.638 . . . . 0.0 112.482 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -128.11 142.94 51.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 126.54 1.936 . . . . 0.0 108.805 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -130.32 150.93 51.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.02 1.328 . . . . 0.0 112.461 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.83 -152.82 6.42 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 128.048 2.737 . . . . 0.0 110.569 170.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.5 p -136.35 161.49 35.66 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -121.84 155.59 35.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.796 1.638 . . . . 0.0 110.41 169.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 99.1 m -104.6 139.91 38.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.561 1.544 . . . . 0.0 111.191 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.97 158.55 15.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.243 2.217 . . . . 0.0 111.876 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.3 p -69.19 -15.61 63.43 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -80.22 0.07 34.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 166.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.82 -11.09 71.6 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 126.286 1.898 . . . . 0.0 115.489 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 39.8 p -79.43 171.26 15.41 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.253 1.527 . . . . 0.0 112.913 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 33.0 p -130.35 155.44 46.36 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.521 1.128 . . . . 0.0 113.428 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.65 165.46 27.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.31 1.844 . . . . 0.0 111.051 169.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -72.91 153.01 41.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 120.849 -1.157 . . . . 0.0 114.114 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.9 ptm -145.88 161.11 40.76 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.527 1.531 . . . . 0.0 109.979 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.05 168.32 40.11 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 121.561 -0.712 . . . . 0.0 114.477 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -83.01 111.07 18.52 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 123.868 0.867 . . . . 0.0 109.65 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.1 tt -112.1 126.82 55.59 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.148 1.779 . . . . 0.0 110.842 -170.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.7 mt -83.21 119.36 24.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.523 1.129 . . . . 0.0 111.107 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.447 -0.579 0 C-N-CA 126.379 1.872 . . . . 0.0 111.14 -173.483 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.5 Cg_exo . . . . . 0 N--CA 1.473 0.273 0 N-CA-C 113.216 0.429 . . . . 0.0 113.216 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.77 120.7 15.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.85 145.29 43.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.504 2.322 . . . . 0.0 112.233 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mp -119.91 136.88 54.34 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.107 1.763 . . . . 0.0 111.576 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.03 112.98 21.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.633 1.173 . . . . 0.0 110.291 174.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.7 mt -90.12 -35.4 15.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -111.52 17.53 19.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.535 1.934 . . . . 0.0 114.794 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.46 -4.24 69.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 163.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -99.66 18.74 17.32 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.794 2.038 . . . . 0.0 113.713 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.35 164.1 39.93 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 125.757 1.646 . . . . 0.0 113.369 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.98 120.0 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 O-C-N 121.627 -0.925 . . . . 0.0 109.575 -176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -102.12 150.35 23.35 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.982 1.713 . . . . 0.0 112.317 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.6 p -132.32 160.87 34.99 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.594 1.558 . . . . 0.0 113.404 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.447 -0.587 0 C-N-CA 126.016 1.726 . . . . 0.0 111.665 -173.716 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -73.8 134.32 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 124.592 1.157 . . . . 0.0 110.522 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 t -63.21 156.18 26.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.863 1.265 . . . . 0.0 112.23 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -11.29 19.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.9 -35.06 75.68 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 166.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -127.11 -176.79 3.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 128.891 2.876 . . . . 0.0 111.205 -167.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.86 169.17 34.04 Favored Glycine 0 C--N 1.339 0.717 0 O-C-N 121.005 -1.059 . . . . 0.0 115.111 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -102.66 141.32 35.67 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.702 1.601 . . . . 0.0 111.511 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.7 129.28 35.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.012 0.925 . . . . 0.0 111.504 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.37 163.97 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 124.968 1.307 . . . . 0.0 112.778 -170.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -154.89 120.81 5.17 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.848 1.659 . . . . 0.0 110.005 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.64 117.66 20.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.12 -21.6 64.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.496 -0.753 . . . . 0.0 112.065 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -94.2 -8.51 39.1 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.92 14.18 72.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -84.42 -20.07 32.45 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 119.683 1.742 . . . . 0.0 112.874 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.13 23.25 35.4 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.804 1.193 . . . . 0.0 113.99 -169.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.46 118.78 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.908 1.283 . . . . 0.0 110.669 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.6 mm -98.52 111.32 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 127.472 2.309 . . . . 0.0 108.216 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -144.09 -9.91 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -114.04 153.21 29.8 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.66 1.184 . . . . 0.0 111.394 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.35 -17.96 62.49 Favored Glycine 0 C--N 1.342 0.886 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.41 -11.57 60.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.164 -1.198 . . . . 0.0 113.916 168.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -105.38 -7.2 18.94 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.405 1.482 . . . . 0.0 113.78 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 tp -131.41 111.15 11.57 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.159 2.183 . . . . 0.0 108.788 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 95.7 m-85 -66.1 112.75 4.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.306 0.642 . . . . 0.0 112.509 -167.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.32 -167.79 36.73 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 126.144 1.83 . . . . 0.0 112.485 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -72.2 9.71 0.93 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.48 -2.32 17.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.106 -1.621 . . . . 0.0 113.475 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -79.19 150.4 31.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.305 1.442 . . . . 0.0 111.527 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -101.11 138.5 38.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.495 1.118 . . . . 0.0 113.882 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.0 mt -80.76 170.82 15.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.819 2.048 . . . . 0.0 111.128 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.98 65.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -170.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -95.39 2.87 54.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 120.111 1.323 . . . . 0.0 113.36 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.55 79.57 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 125.268 1.413 . . . . 0.0 115.423 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 m -66.07 142.85 57.65 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.93 1.365 . . . . 0.0 110.938 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -73.09 142.98 47.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.551 -0.718 . . . . 0.0 111.451 170.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.53 149.3 47.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.917 0.865 . . . . 0.0 111.741 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.66 -35.15 65.21 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.806 0.842 . . . . 0.0 112.676 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -161.96 167.23 24.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.174 1.79 . . . . 0.0 112.312 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.96 94.94 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 125.054 1.311 . . . . 0.0 115.711 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -67.36 -41.23 85.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.983 1.891 . . . . 0.0 111.818 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.91 82.28 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.97 74.9 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.939 1.295 . . . . 0.0 113.374 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -31.42 25.7 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.443 1.097 . . . . 0.0 113.21 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -21.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -174.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.61 -20.8 65.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.681 -1.262 . . . . 0.0 113.049 172.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.76 -6.54 59.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.697 1.199 . . . . 0.0 112.806 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.66 104.61 11.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 120.086 1.312 . . . . 0.0 109.978 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.3 m -86.31 -17.65 34.02 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -168.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -109.86 -12.86 14.54 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.169 0.988 . . . . 0.0 113.209 173.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.32 57.33 4.74 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 119.35 0.977 . . . . 0.0 112.465 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 p30 -112.96 -1.98 14.39 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.596 1.558 . . . . 0.0 113.094 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.271 15.1 t-20 67.22 31.95 6.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 125.947 1.699 . . . . 0.0 114.806 -175.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.6 pt -139.14 152.59 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 125.942 1.697 . . . . 0.0 112.131 163.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mm -101.41 116.19 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.45 1.1 . . . . 0.0 108.089 167.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -147.82 168.28 22.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.418 1.487 . . . . 0.0 112.365 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.74 -25.64 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.65 63.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.06 135.61 51.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.827 1.194 . . . . 0.0 112.037 172.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -16.1 60.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.84 -36.11 74.02 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -73.49 -18.97 61.05 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 121.378 -0.826 . . . . 0.0 113.175 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -91.57 -15.91 27.94 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.773 1.629 . . . . 0.0 115.107 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.66 146.21 55.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.897 0.879 . . . . 0.0 112.456 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -141.66 168.09 20.59 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.553 1.941 . . . . 0.0 111.139 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.24 131.64 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 124.996 1.319 . . . . 0.0 109.388 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -99.97 129.25 46.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.358 1.063 . . . . 0.0 111.211 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.82 100.89 7.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.196 1.798 . . . . 0.0 109.07 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -72.21 92.22 1.35 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.162 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 -22.47 66.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -167.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -115.65 10.1 15.43 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 171.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 58.37 29.07 17.66 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 117.943 2.572 . . . . 0.0 117.943 170.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -101.56 -8.05 22.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 119.84 -1.787 . . . . 0.0 115.788 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.57 6.75 88.22 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 124.467 1.032 . . . . 0.0 115.049 -177.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.4 131.08 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 125.009 1.323 . . . . 0.0 107.84 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -86.59 145.43 26.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.312 0.96 . . . . 0.0 113.434 -176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -143.42 149.98 38.41 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 126.363 1.865 . . . . 0.0 110.598 171.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.51 72.66 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -62.06 -19.8 63.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.662 1.585 . . . . 0.0 114.074 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -97.33 -5.39 36.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.537 1.535 . . . . 0.0 113.072 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.8 mt -90.19 155.97 18.65 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 124.413 1.085 . . . . 0.0 111.615 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -139.8 151.02 45.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.364 1.866 . . . . 0.0 111.103 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.7 p -72.71 164.95 25.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.808 1.243 . . . . 0.0 112.449 167.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.19 -42.68 79.57 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.347 -0.845 . . . . 0.0 111.53 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.99 -42.26 99.8 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.351 0.66 . . . . 0.0 112.454 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.92 -14.25 61.43 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.3 mt -97.25 1.25 49.42 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.921 1.689 . . . . 0.0 113.665 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 25.81 62.5 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.285 1.421 . . . . 0.0 114.704 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 59.9 mt -98.25 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 125.645 1.578 . . . . 0.0 110.517 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -119.82 -43.34 2.57 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.965 1.706 . . . . 0.0 113.849 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 84.1 p -155.41 159.4 39.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.453 -1.404 . . . . 0.0 113.096 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.12 134.59 54.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.76 1.224 . . . . 0.0 109.822 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -81.87 132.16 35.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.285 0.493 . . . . 0.0 110.758 172.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -92.27 -0.65 57.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.276 -0.89 . . . . 0.0 113.305 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.52 141.33 30.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.532 1.133 . . . . 0.0 111.625 166.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -144.94 171.37 14.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.018 1.327 . . . . 0.0 111.916 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -128.58 142.24 51.11 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.363 1.065 . . . . 0.0 109.599 163.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -76.76 127.69 33.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 123.825 0.85 . . . . 0.0 111.07 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.2 -20.62 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.739 1.616 . . . . 0.0 114.859 -169.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 47.7 41.79 14.36 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.459 1.904 . . . . 0.0 114.952 172.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.29 115.16 15.76 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 111.982 -173.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -64.08 122.73 17.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.807 0.843 . . . . 0.0 110.103 171.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.23 14.25 22.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.641 1.577 . . . . 0.0 112.528 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.3 165.74 32.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 125.394 1.473 . . . . 0.0 114.394 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 56.73 16.1 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.6 0.48 52.97 Favored Glycine 0 C--N 1.34 0.766 0 C-N-CA 125.561 1.553 . . . . 0.0 115.066 -176.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.46 135.88 35.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.914 1.357 . . . . 0.0 111.819 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.5 m -138.33 126.04 22.26 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.927 1.291 . . . . 0.0 111.62 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.27 104.53 12.65 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.872 -1.143 . . . . 0.0 109.342 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.62 20.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.673 0.789 . . . . 0.0 112.424 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -128.71 136.5 50.68 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.374 1.87 . . . . 0.0 110.25 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -127.62 141.7 51.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 125.274 1.43 . . . . 0.0 112.267 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.78 -155.0 7.0 Favored Glycine 0 C--N 1.338 0.671 0 C-N-CA 126.916 2.198 . . . . 0.0 111.573 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 99.5 p -130.11 163.05 27.43 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -121.36 160.52 23.86 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.657 1.583 . . . . 0.0 110.039 161.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.9 m -110.74 138.92 46.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.659 1.183 . . . . 0.0 110.127 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.31 167.84 13.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.312 1.845 . . . . 0.0 112.976 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 11.2 p -57.38 -24.84 57.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.278 1.431 . . . . 0.0 113.576 171.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -95.6 13.84 24.91 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 113.655 173.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 76.25 -9.82 18.46 Favored Glycine 0 C--N 1.338 0.642 0 O-C-N 120.666 -1.271 . . . . 0.0 116.132 174.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.8 p -70.39 159.89 33.34 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.128 1.371 . . . . 0.0 112.274 170.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.9 p -115.41 153.1 31.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.54 163.12 35.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.737 2.015 . . . . 0.0 111.675 -174.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.75 145.05 34.65 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.4 ptm -149.8 166.64 28.84 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 164.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.56 173.16 45.03 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -86.81 104.41 16.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 110.376 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 45.4 tp -93.42 116.61 29.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.427 1.491 . . . . 0.0 110.649 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 68.1 mt -74.97 124.54 27.13 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 57.4 mt . . . . . 0 N--CA 1.445 -0.7 0 C-N-CA 124.547 1.139 . . . . 0.0 111.433 -169.045 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.482 0 N-CA-C 113.428 0.511 . . . . 0.0 113.428 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.86 130.1 43.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.49 144.96 50.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.646 2.378 . . . . 0.0 111.273 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.45 134.28 55.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.339 1.456 . . . . 0.0 110.453 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -81.46 112.25 18.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.355 0.662 . . . . 0.0 109.305 165.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 mt -90.82 -42.13 10.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -90.36 9.29 29.52 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.49 38.07 29.46 Favored Glycine 0 CA--C 1.523 0.59 0 O-C-N 120.809 -1.182 . . . . 0.0 115.577 161.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -137.92 13.17 2.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.48 1.112 . . . . 0.0 113.549 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.81 159.02 30.55 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 126.456 1.979 . . . . 0.0 114.081 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.86 130.66 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 O-C-N 121.473 -1.016 . . . . 0.0 108.932 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -118.72 141.5 48.56 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.084 0.954 . . . . 0.0 112.777 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -136.65 138.22 40.88 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.244 1.017 . . . . 0.0 113.309 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.223 -0.327 0 C-N-CA 126.33 1.852 . . . . 0.0 110.633 -169.707 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.399 0.618 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.76 146.47 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 123.028 1.394 . . . . 0.0 113.077 175.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -56.92 154.37 9.58 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 126.612 1.965 . . . . 0.0 111.976 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.12 -18.24 65.22 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.27 -19.0 54.57 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -110.32 -176.73 3.06 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.309 1.844 . . . . 0.0 112.174 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.56 166.11 37.11 Favored Glycine 0 CA--C 1.519 0.301 0 O-C-N 121.135 -0.978 . . . . 0.0 114.474 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.1 mt -97.93 140.8 31.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.644 1.177 . . . . 0.0 111.27 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.34 129.15 36.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.99 0.516 . . . . 0.0 109.661 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.3 m -145.12 165.2 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.347 1.459 . . . . 0.0 111.883 -173.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -146.45 130.89 17.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.007 0.923 . . . . 0.0 109.958 159.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.69 115.65 9.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.9 -14.54 50.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -170.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -130.37 5.99 4.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.4 23.57 73.5 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-O 118.921 -0.933 . . . . 0.0 115.342 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -85.88 -1.02 56.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.227 1.411 . . . . 0.0 114.522 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.9 11.56 83.7 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 125.033 1.302 . . . . 0.0 115.306 175.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.42 155.0 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.285 1.834 . . . . 0.0 112.097 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.99 112.39 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 125.751 1.62 . . . . 0.0 107.735 167.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -133.72 -2.43 2.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -139.02 146.84 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.868 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.49 -26.84 64.99 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.62 1.105 . . . . 0.0 115.614 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.39 -2.72 56.45 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.304 1.552 . . . . 0.0 114.631 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.76 -20.11 50.7 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.971 1.26 . . . . 0.0 112.413 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.54 163.14 23.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.335 2.254 . . . . 0.0 110.052 167.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 63.8 m-85 -99.78 106.77 18.69 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 121.356 -0.84 . . . . 0.0 110.514 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.31 -159.3 22.19 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.572 1.082 . . . . 0.0 112.946 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -75.84 6.8 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -94.71 -8.17 38.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.372 1.469 . . . . 0.0 112.98 166.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.8 m -77.51 136.93 38.37 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 119.758 1.163 . . . . 0.0 111.342 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -104.35 133.81 48.62 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.45 1.5 . . . . 0.0 110.529 173.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.2 mt -94.54 170.1 9.71 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.467 1.907 . . . . 0.0 112.216 -171.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.87 -22.95 65.09 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.523 -1.361 . . . . 0.0 114.5 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -78.9 2.02 21.58 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.26 -3.76 85.3 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 126.316 1.913 . . . . 0.0 115.051 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -84.75 157.6 20.98 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 120.373 2.086 . . . . 0.0 113.404 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -83.42 139.5 32.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.869 -1.145 . . . . 0.0 111.779 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.09 58.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.827 1.251 . . . . 0.0 112.907 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -72.06 -32.43 67.07 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.135 -0.978 . . . . 0.0 113.513 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.88 170.47 22.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.192 1.797 . . . . 0.0 111.853 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.34 -24.72 65.91 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.999 1.285 . . . . 0.0 115.011 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -70.65 -44.09 67.84 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 118.383 1.092 . . . . 0.0 111.84 173.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.56 72.73 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 118.97 0.804 . . . . 0.0 112.478 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.65 -51.54 64.73 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.377 0.671 . . . . 0.0 112.234 170.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.2 tp -72.08 -32.76 67.34 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 121.045 -1.035 . . . . 0.0 113.256 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.1 61.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.81 -20.8 64.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.007 -1.058 . . . . 0.0 112.953 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.6 mt -96.62 1.26 51.0 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -164.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -73.75 124.02 25.23 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.728 1.149 . . . . 0.0 111.867 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.9 p -89.61 -13.7 36.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.514 1.525 . . . . 0.0 114.716 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -110.54 -22.42 11.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -168.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.73 30.16 66.53 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 119.033 0.833 . . . . 0.0 113.311 -166.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -97.75 -5.24 35.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 124.772 1.229 . . . . 0.0 113.018 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.6 t30 62.11 28.56 17.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.981 1.712 . . . . 0.0 114.451 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.1 pt -135.02 153.56 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.415 1.486 . . . . 0.0 111.284 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -99.72 116.2 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -146.73 177.11 9.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.73 1.612 . . . . 0.0 111.328 -173.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.72 -16.6 41.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -173.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -20.5 65.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 170.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -91.3 139.89 30.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.046 1.739 . . . . 0.0 112.939 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.82 81.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.69 67.86 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -57.08 -30.84 64.65 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.603 1.161 . . . . 0.0 113.289 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -80.69 -20.72 42.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -111.1 -12.83 14.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 125.625 1.57 . . . . 0.0 114.732 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.3 141.53 58.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.873 1.269 . . . . 0.0 112.355 169.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -136.74 165.47 25.84 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.027 1.731 . . . . 0.0 111.324 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.48 126.21 75.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 124.379 1.072 . . . . 0.0 108.139 167.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -91.13 118.55 30.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.734 0.697 . . . . 0.0 110.195 172.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -100.41 117.45 34.62 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.259 1.023 . . . . 0.0 109.965 165.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -83.2 74.43 10.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.918 -1.114 . . . . 0.0 109.822 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.1 mt -58.24 -31.09 67.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 126.121 1.768 . . . . 0.0 114.587 -166.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -111.03 14.15 21.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.095 1.358 . . . . 0.0 114.425 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 57.25 60.49 2.91 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.172 1.789 . . . . 0.0 114.284 159.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -141.49 7.24 1.92 Allowed 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.66 -0.91 47.92 Favored Glycine 0 N--CA 1.44 -1.077 0 O-C-N 120.12 -1.613 . . . . 0.0 115.878 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.6 mt -98.18 128.64 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 p -87.25 156.91 19.45 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.03 -1.043 . . . . 0.0 112.383 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -137.69 156.27 48.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 124.8 1.24 . . . . 0.0 110.918 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.48 -25.15 66.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -76.44 -22.62 54.4 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.486 1.514 . . . . 0.0 113.885 168.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -85.5 -17.21 37.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.495 1.518 . . . . 0.0 113.619 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.35 126.1 30.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.763 1.225 . . . . 0.0 110.482 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 -111.16 143.74 41.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.119 2.168 . . . . 0.0 110.968 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.2 p -77.15 161.22 28.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.821 1.648 . . . . 0.0 111.213 168.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.42 -33.21 71.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.43 -0.794 . . . . 0.0 111.317 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.77 -41.7 82.89 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.401 1.08 . . . . 0.0 113.095 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.33 -25.62 62.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 119.22 0.918 . . . . 0.0 113.129 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.71 4.08 23.19 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 125.505 1.522 . . . . 0.0 112.823 169.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.37 26.2 74.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.576 1.56 . . . . 0.0 113.987 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.8 mt -82.78 137.93 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 119.034 1.417 . . . . 0.0 110.536 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -99.48 -45.38 5.84 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.415 1.886 . . . . 0.0 111.365 170.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.8 p -156.58 159.76 38.82 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 28.7 mt -112.65 136.56 52.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 126.386 1.874 . . . . 0.0 108.832 167.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -85.29 137.1 33.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.687 0.795 . . . . 0.0 111.202 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.57 -11.49 39.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.214 1.005 . . . . 0.0 113.51 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.93 142.01 35.51 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.74 0.816 . . . . 0.0 111.509 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -145.96 172.92 12.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.651 1.18 . . . . 0.0 111.669 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -133.84 143.09 48.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.124 1.77 . . . . 0.0 109.871 166.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -66.98 133.55 50.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.591 1.157 . . . . 0.0 109.884 171.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.1 p -136.6 -37.28 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -167.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.2 m120 50.08 56.91 7.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 127.183 2.193 . . . . 0.0 114.518 171.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -107.21 131.95 53.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.951 1.701 . . . . 0.0 112.577 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -75.86 125.01 28.27 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 123.696 0.798 . . . . 0.0 110.178 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 19.2 mt -100.54 -27.1 13.59 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.13 7.63 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.998 1.285 . . . . 0.0 112.67 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 53.88 30.16 11.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.271 1.828 . . . . 0.0 114.55 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.29 12.84 81.66 Favored Glycine 0 C--N 1.334 0.436 0 O-C-N 120.835 -1.165 . . . . 0.0 115.003 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -100.56 142.28 32.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 118.989 1.395 . . . . 0.0 110.951 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.3 m -135.9 123.99 22.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.584 0.753 . . . . 0.0 111.893 -169.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.61 110.43 14.93 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.857 -1.152 . . . . 0.0 109.301 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.98 -43.99 11.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -128.15 145.29 51.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.555 1.542 . . . . 0.0 110.233 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -138.15 144.88 40.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.392 1.077 . . . . 0.0 113.432 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.7 -160.03 9.93 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 127.672 2.558 . . . . 0.0 113.07 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -127.07 168.1 15.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -138.84 159.55 41.86 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.415 1.486 . . . . 0.0 111.239 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 m -122.66 143.48 49.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.256 1.423 . . . . 0.0 111.513 -170.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.91 162.18 13.23 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.405 1.882 . . . . 0.0 113.091 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 38.5 p -60.27 -36.08 76.98 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.954 -1.091 . . . . 0.0 112.358 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -76.69 2.73 13.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.56 0.86 89.32 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 79.0 p -72.94 161.1 31.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 119.827 1.813 . . . . 0.0 112.395 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 18.7 p -121.55 150.47 41.61 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.724 1.609 . . . . 0.0 112.856 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.83 172.18 13.38 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 127.16 2.184 . . . . 0.0 111.531 -170.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.0 140.57 48.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.87 1.268 . . . . 0.0 113.983 -165.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 24.6 ptm -149.96 169.12 21.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.664 1.185 . . . . 0.0 112.139 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.99 177.23 48.27 Favored Glycine 0 CA--C 1.52 0.402 0 O-C-N 121.429 -0.795 . . . . 0.0 114.184 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.28 119.96 31.77 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 124.012 0.925 . . . . 0.0 110.628 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.1 tp -110.81 119.48 39.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.233 1.813 . . . . 0.0 110.62 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.47 105.45 6.5 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.434 1.494 . . . . 0.0 109.644 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.445 -0.706 0 C-N-CA 125.347 1.459 . . . . 0.0 110.834 -179.369 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.253 0 N-CA-C 112.637 0.207 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.57 125.87 26.07 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.25 148.22 51.16 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.423 2.289 . . . . 0.0 111.463 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.77 137.31 52.29 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.504 1.522 . . . . 0.0 110.489 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -79.01 105.24 10.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.029 1.331 . . . . 0.0 109.722 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -31.99 19.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -101.89 -5.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.4 5.46 63.46 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 118.459 2.144 . . . . 0.0 118.459 167.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -96.9 21.69 9.3 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.442 1.621 . . . . 0.0 113.958 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.99 158.89 33.2 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 126.076 1.798 . . . . 0.0 113.469 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.41 123.31 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.75 160.8 37.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -174.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.5 p -127.92 160.98 30.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.775 1.63 . . . . 0.0 113.611 -166.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.447 -0.598 0 C-N-CA 126.107 1.763 . . . . 0.0 110.271 175.513 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 122.035 0.922 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.52 138.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 O-C-N 121.374 -0.829 . . . . 0.0 111.236 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.0 t -61.37 157.68 16.18 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.202 1.401 . . . . 0.0 113.328 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.17 -12.0 60.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.02 -24.25 30.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 120.059 -1.651 . . . . 0.0 112.941 171.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.31 -179.19 3.85 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 127.738 2.415 . . . . 0.0 112.47 -176.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.47 169.11 36.89 Favored Glycine 0 C--N 1.339 0.713 0 O-C-N 120.132 -1.605 . . . . 0.0 115.892 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -98.09 144.2 27.83 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 125.432 1.493 . . . . 0.0 112.101 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.8 128.51 33.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.303 0.641 . . . . 0.0 109.963 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.5 m -143.61 163.28 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 124.319 1.048 . . . . 0.0 113.827 -171.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -154.05 114.57 3.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.658 1.183 . . . . 0.0 111.805 164.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -69.27 120.88 15.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.745 1.218 . . . . 0.0 110.619 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.0 mt -78.1 -6.7 55.49 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 120.88 -1.138 . . . . 0.0 113.568 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -88.15 -17.47 30.86 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.865 1.266 . . . . 0.0 112.608 167.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.18 27.03 73.88 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.959 -1.088 . . . . 0.0 115.183 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -108.17 -17.17 14.09 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.216 1.406 . . . . 0.0 113.29 176.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.14 23.66 29.04 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 125.478 1.513 . . . . 0.0 115.43 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.6 114.55 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.552 1.176 . . . . 0.0 108.639 172.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -90.07 104.65 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.79 1.636 . . . . 0.0 108.509 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -140.99 -5.23 1.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -174.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -119.93 142.92 48.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.388 1.475 . . . . 0.0 111.789 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.06 -21.39 56.07 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.749 1.059 . . . . 0.0 115.749 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.05 -0.97 15.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 173.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -105.33 -11.39 16.5 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.777 2.031 . . . . 0.0 113.141 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.5 mt -88.38 163.68 15.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.839 2.056 . . . . 0.0 110.002 158.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -101.5 112.49 25.06 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.773 0.829 . . . . 0.0 111.918 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.29 -160.9 25.84 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 126.227 1.87 . . . . 0.0 112.796 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.16 -19.54 62.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.29 7.82 23.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.519 1.128 . . . . 0.0 112.681 175.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -99.06 145.44 27.11 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 120.383 -1.448 . . . . 0.0 110.974 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.5 155.37 23.39 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.734 0.778 . . . . 0.0 113.049 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.9 mt -90.74 172.5 8.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 109.816 162.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.31 -14.72 63.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -89.51 -1.7 58.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 120.662 -1.273 . . . . 0.0 113.983 173.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.08 3.32 85.26 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 125.35 1.452 . . . . 0.0 115.425 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.0 p -78.08 157.3 29.58 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 119.117 1.458 . . . . 0.0 111.142 168.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -84.9 143.56 28.94 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 120.288 -1.508 . . . . 0.0 112.419 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.02 155.64 38.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -62.7 -42.29 99.57 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.339 1.055 . . . . 0.0 111.87 168.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -159.24 163.96 35.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.802 1.641 . . . . 0.0 112.154 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.27 93.93 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.127 1.346 . . . . 0.0 115.483 -174.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -63.79 -30.68 71.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.123 1.461 . . . . 0.0 112.748 173.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.64 62.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.254 0.934 . . . . 0.0 112.237 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.97 79.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.16 -35.48 61.6 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 124.916 1.286 . . . . 0.0 112.34 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.02 -19.02 64.88 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.54 -20.58 64.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.787 1.235 . . . . 0.0 113.934 171.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.7 mt -94.2 -4.69 48.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.757 1.223 . . . . 0.0 114.216 -171.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -72.46 125.53 27.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 118.961 0.801 . . . . 0.0 110.777 170.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -90.73 -33.65 15.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -171.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -112.65 -3.4 14.3 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.004 1.721 . . . . 0.0 115.095 -171.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.97 21.08 77.01 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 115.771 1.068 . . . . 0.0 115.771 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -77.24 -5.44 49.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.201 1.501 . . . . 0.0 113.077 172.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.261 8.2 t30 63.74 25.23 14.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.897 2.479 . . . . 0.0 114.038 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.07 151.72 35.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.322 1.449 . . . . 0.0 111.054 169.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.4 mm -97.86 114.83 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -147.65 172.77 13.53 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.718 1.207 . . . . 0.0 111.813 -172.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.44 -17.49 31.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -167.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.19 -18.24 50.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.45 135.09 37.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.274 1.03 . . . . 0.0 110.956 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.17 75.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 120.716 -1.24 . . . . 0.0 113.858 -173.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.46 66.74 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.91 -27.24 68.68 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 119.708 1.14 . . . . 0.0 113.312 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.37 -16.03 50.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -113.21 -16.78 12.49 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 115.837 1.792 . . . . 0.0 115.837 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.61 148.05 49.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.055 1.342 . . . . 0.0 110.905 166.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -138.29 170.73 15.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.508 1.923 . . . . 0.0 110.405 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -120.64 123.95 71.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 C-N-CA 124.748 1.219 . . . . 0.0 109.635 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -93.49 114.14 26.44 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.703 1.201 . . . . 0.0 110.976 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -109.16 97.07 6.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.441 1.097 . . . . 0.0 108.84 167.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.79 122.12 21.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.539 0.736 . . . . 0.0 110.371 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.2 mt -83.39 -5.49 59.16 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.144 0.978 . . . . 0.0 113.355 -173.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -111.65 -11.63 13.99 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.251 1.821 . . . . 0.0 112.248 170.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 51.08 35.63 13.49 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.864 2.066 . . . . 0.0 113.738 -166.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -101.25 -11.31 19.59 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.67 16.61 76.1 Favored Glycine 0 N--CA 1.446 -0.635 0 O-C-N 121.065 -1.022 . . . . 0.0 114.47 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.6 113.94 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 166.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -85.79 139.79 31.01 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.899 -1.125 . . . . 0.0 112.977 -165.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -129.83 144.15 51.16 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.835 1.254 . . . . 0.0 109.293 168.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.22 -27.66 68.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -172.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -61.55 -27.4 68.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.97 0.908 . . . . 0.0 112.924 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.3 -10.0 59.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.341 1.456 . . . . 0.0 113.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.6 mp -98.4 130.08 45.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.071 0.948 . . . . 0.0 109.895 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.426 HH21 ' CD ' ' A' ' 124' ' ' GLU . 7.1 mmm180 -115.79 154.21 30.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.806 2.042 . . . . 0.0 111.36 176.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.1 p -80.63 152.86 28.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.279 1.032 . . . . 0.0 112.833 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.49 -35.89 80.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.571 0.749 . . . . 0.0 111.556 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.94 -33.01 65.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.426 ' CD ' HH21 ' A' ' 120' ' ' ARG . 36.3 tt0 -66.01 -34.88 79.1 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 119.053 0.842 . . . . 0.0 112.21 172.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.34 7.84 18.11 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.808 1.243 . . . . 0.0 113.717 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.46 27.59 73.7 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.127 -0.983 . . . . 0.0 114.74 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -83.23 132.24 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 119.106 1.453 . . . . 0.0 110.285 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -94.59 -51.73 4.61 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 111.016 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.4 p -157.18 160.31 38.61 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.477 1.111 . . . . 0.0 112.767 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt -112.33 136.18 52.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.882 1.673 . . . . 0.0 110.252 171.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -90.36 125.79 35.66 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.158 0.983 . . . . 0.0 111.571 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.66 -15.28 59.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.24 0.927 . . . . 0.0 113.219 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.02 140.12 48.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 119.822 1.192 . . . . 0.0 111.562 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -145.17 166.96 23.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.972 0.909 . . . . 0.0 112.68 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -129.16 148.34 51.09 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.802 2.041 . . . . 0.0 110.195 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -78.35 126.46 30.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.272 1.429 . . . . 0.0 110.95 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.65 -27.19 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 44.69 41.01 4.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 126.497 1.919 . . . . 0.0 115.739 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -76.57 116.53 17.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.76 0.824 . . . . 0.0 110.238 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -83.29 107.5 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.695 0.798 . . . . 0.0 109.359 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.3 mt -91.28 5.5 48.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -168.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.71 171.85 37.56 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 124.598 1.095 . . . . 0.0 113.156 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.02 29.57 3.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.247 1.819 . . . . 0.0 114.799 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.62 89.22 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 125.46 1.505 . . . . 0.0 116.278 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -95.31 145.68 24.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.473 1.636 . . . . 0.0 112.84 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.1 m -144.89 137.93 26.6 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.126 1.37 . . . . 0.0 109.958 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.0 tp -96.77 107.32 19.77 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 0.0 109.691 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.52 -49.75 8.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -127.39 141.92 51.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 126.787 2.035 . . . . 0.0 109.563 -175.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -138.89 142.98 38.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.316 1.046 . . . . 0.0 112.383 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.73 -147.89 4.62 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 127.14 2.305 . . . . 0.0 110.708 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 85.3 p -129.25 166.03 20.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -130.42 159.77 36.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.995 1.718 . . . . 0.0 109.418 157.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 98.6 m -111.86 134.46 53.4 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.598 1.159 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -92.9 159.05 15.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.11 1.764 . . . . 0.0 111.789 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.0 p -66.73 -17.99 65.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.22 1.408 . . . . 0.0 114.766 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -83.11 3.15 31.87 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.15 1.78 . . . . 0.0 114.607 170.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.5 2.81 87.02 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.394 1.473 . . . . 0.0 115.806 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 5.3 m -82.79 148.74 27.62 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.572 1.686 . . . . 0.0 110.844 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 35.8 p -105.95 146.59 29.83 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.561 0.744 . . . . 0.0 111.455 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.79 155.65 46.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 111.366 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -71.69 144.68 49.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.754 0.788 . . . . 0.0 112.395 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.1 ptm -141.15 161.42 37.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.606 0.762 . . . . 0.0 109.915 159.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.74 173.24 46.15 Favored Glycine 0 C--N 1.336 0.573 0 O-C-N 121.987 -0.446 . . . . 0.0 114.068 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -86.52 102.97 14.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.943 0.897 . . . . 0.0 110.752 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 65.2 tp -102.48 108.34 19.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.642 1.977 . . . . 0.0 109.131 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.08 136.31 44.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.037 1.335 . . . . 0.0 110.206 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.447 -0.605 0 C-N-CA 126.657 1.983 . . . . 0.0 110.77 -163.865 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.187 0 N-CA-C 114.093 0.766 . . . . 0.0 114.093 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.75 124.83 24.38 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.71 143.82 48.56 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 126.471 1.909 . . . . 0.0 111.514 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -117.12 134.97 54.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 109.872 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -80.44 109.1 14.62 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.142 0.977 . . . . 0.0 109.852 166.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.25 -33.83 17.95 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -99.32 -6.49 27.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 42.66 5.15 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 167.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -138.36 20.27 2.75 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.168 1.387 . . . . 0.0 113.787 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.62 165.47 41.35 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.166 1.841 . . . . 0.0 114.135 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.8 138.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 109.497 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -146.71 158.33 43.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.807 -1.183 . . . . 0.0 113.281 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.0 p -130.82 158.68 39.51 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -164.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -129.75 170.71 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 127.829 2.452 . . . . 0.0 110.279 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.31 150.11 40.37 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.0 p -125.42 145.23 50.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 127.221 2.208 . . . . 0.0 112.347 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -150.58 149.68 30.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.92 1.288 . . . . 0.0 111.808 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.84 -121.26 5.71 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -168.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -58.03 150.96 19.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.053 0.926 . . . . 0.0 111.716 163.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m 59.86 21.52 10.45 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.97 -151.36 8.7 Favored Glycine 0 C--N 1.342 0.911 0 N-CA-C 116.843 1.497 . . . . 0.0 116.843 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 m -63.48 123.09 17.89 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.754 1.222 . . . . 0.0 111.804 170.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -68.15 132.28 46.9 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.535 0.734 . . . . 0.0 109.582 167.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -130.27 19.87 5.32 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.326 1.451 . . . . 0.0 114.177 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -75.69 118.51 18.6 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.618 -1.301 . . . . 0.0 112.936 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -64.44 -29.84 70.88 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.305 1.042 . . . . 0.0 113.358 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -71.93 -46.16 58.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 123.978 0.911 . . . . 0.0 111.745 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -70.69 -44.56 66.72 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.557 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -149.6 -65.43 0.22 Allowed 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 123.937 0.895 . . . . 0.0 112.475 -169.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.38 165.26 20.22 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 125.082 1.325 . . . . 0.0 112.594 -169.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.1 mt -75.95 133.96 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -131.77 160.22 36.19 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.625 1.57 . . . . 0.0 111.428 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.3 m -70.52 129.21 38.62 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.228 1.011 . . . . 0.0 111.443 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.35 144.81 56.86 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.554 0.741 . . . . 0.0 112.682 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.36 128.67 34.46 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.838 0.855 . . . . 0.0 111.9 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.03 149.12 17.92 Favored Glycine 0 N--CA 1.441 -1.024 0 C-N-CA 124.366 0.984 . . . . 0.0 113.617 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -148.15 167.74 24.26 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 124.932 1.293 . . . . 0.0 110.994 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.62 151.92 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 123.98 0.912 . . . . 0.0 113.027 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 p -53.65 163.19 0.71 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.872 1.269 . . . . 0.0 114.394 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.38 -8.66 48.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -87.59 -32.77 19.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.613 -1.304 . . . . 0.0 113.133 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -100.55 -167.94 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.126 1.771 . . . . 0.0 112.934 -170.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.28 170.13 39.37 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 120.357 -1.465 . . . . 0.0 115.305 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.7 mt -110.79 146.63 36.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.387 1.475 . . . . 0.0 111.939 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 tp -84.16 130.21 34.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.573 0.749 . . . . 0.0 111.156 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.34 165.05 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 C-N-CA 124.47 1.108 . . . . 0.0 112.943 -172.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -145.19 125.1 13.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.127 1.771 . . . . 0.0 109.416 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -80.72 121.76 26.29 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 118.53 0.605 . . . . 0.0 109.457 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.0 mt -105.26 -3.21 23.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.579 1.151 . . . . 0.0 113.94 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -125.78 1.24 7.43 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.29 78.97 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 115.814 1.086 . . . . 0.0 115.814 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -85.53 2.75 43.52 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 119.372 1.586 . . . . 0.0 114.537 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.33 3.28 90.68 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.54 1.543 . . . . 0.0 115.917 174.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.4 pt -138.59 163.44 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 126.15 1.78 . . . . 0.0 112.49 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.6 mm -101.02 112.28 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.0 1.32 . . . . 0.0 109.561 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -146.85 1.04 0.77 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -124.9 148.14 48.47 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 124.939 1.296 . . . . 0.0 111.312 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.32 -22.59 44.86 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 116.919 1.528 . . . . 0.0 116.919 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.72 -10.48 55.56 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.578 1.689 . . . . 0.0 115.298 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -84.9 -13.15 51.77 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -171.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.34 114.41 26.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.131 1.772 . . . . 0.0 109.266 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -64.37 124.96 23.1 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -169.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.71 -164.74 33.39 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.325 0.964 . . . . 0.0 113.014 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -71.17 24.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -128.13 -11.03 5.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.77 2.028 . . . . 0.0 113.056 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -73.26 150.31 42.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 118.988 0.813 . . . . 0.0 110.283 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -104.76 144.99 30.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.916 0.886 . . . . 0.0 113.087 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.13 175.01 10.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.652 2.781 . . . . 0.0 110.983 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.34 69.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -81.52 -3.62 53.65 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.477 -1.389 . . . . 0.0 114.46 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.16 4.42 74.49 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 120.635 -1.291 . . . . 0.0 115.074 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -70.61 147.97 48.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.613 1.706 . . . . 0.0 110.666 167.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -72.2 143.57 48.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.89 -1.131 . . . . 0.0 111.591 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.41 144.83 44.14 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.198 0.999 . . . . 0.0 111.936 171.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -75.14 -27.23 59.69 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.18 171.0 20.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.744 2.017 . . . . 0.0 110.959 176.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.02 -27.18 66.73 Favored Glycine 0 CA--C 1.521 0.417 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.672 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -68.55 -43.3 76.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 118.837 1.318 . . . . 0.0 112.348 174.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.29 77.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.824 -0.547 . . . . 0.0 112.409 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.49 84.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.792 1.237 . . . . 0.0 113.287 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -78.67 -34.48 46.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 112.979 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.14 -24.6 64.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.1 -23.04 18.69 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 124.954 1.301 . . . . 0.0 114.056 171.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.6 mt -96.43 -5.0 40.7 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.693 1.197 . . . . 0.0 114.011 -170.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -69.51 121.29 16.74 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.154 0.888 . . . . 0.0 109.967 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -84.45 -37.94 20.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -110.87 -10.38 14.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.5 37.85 11.58 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 120.37 1.441 . . . . 0.0 115.047 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -99.48 -2.34 36.21 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.104 1.362 . . . . 0.0 112.41 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.88 25.31 13.96 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.136 2.174 . . . . 0.0 114.991 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.1 pt -132.4 152.93 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.177 1.391 . . . . 0.0 111.56 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.2 mm -100.68 113.4 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -143.45 167.28 22.57 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.234 1.814 . . . . 0.0 111.89 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -19.94 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 -169.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 -21.04 62.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -75.68 125.78 29.72 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.081 1.352 . . . . 0.0 110.597 166.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.9 67.79 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.21 -19.18 63.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -62.0 -35.26 77.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 120.382 -1.448 . . . . 0.0 112.526 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -69.69 -19.26 63.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.474 -0.766 . . . . 0.0 113.057 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -98.49 -24.04 15.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.569 1.947 . . . . 0.0 113.524 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.29 152.28 44.14 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.911 0.884 . . . . 0.0 112.445 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -141.02 164.41 30.35 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.32 1.848 . . . . 0.0 110.485 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.4 t -115.02 132.46 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 124.539 1.136 . . . . 0.0 109.087 168.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -98.44 118.22 34.62 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.006 1.322 . . . . 0.0 109.838 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -112.57 98.2 7.09 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.759 1.224 . . . . 0.0 108.608 168.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.78 123.2 25.85 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.889 0.476 . . . . 0.0 110.454 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.9 mt -87.23 -11.41 49.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -115.79 -2.25 12.44 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 164.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.264 5.4 mp0 58.73 30.25 19.73 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.931 2.092 . . . . 0.0 115.403 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -79.6 -19.95 48.08 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.807 -1.183 . . . . 0.0 113.13 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.8 33.65 71.15 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 124.643 1.116 . . . . 0.0 112.528 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.2 mt -122.78 120.23 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 126.49 1.916 . . . . 0.0 106.538 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.2 t -87.74 134.76 33.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -157.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -123.37 151.16 42.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.512 1.525 . . . . 0.0 110.909 166.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.56 75.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -166.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.46 -16.79 64.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.58 -16.3 54.5 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 125.977 1.711 . . . . 0.0 113.134 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.53 146.0 26.55 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.821 0.848 . . . . 0.0 110.252 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -139.44 153.37 47.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.962 2.105 . . . . 0.0 110.759 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -79.61 165.36 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.106 0.962 . . . . 0.0 112.359 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.39 -38.01 74.62 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.306 -0.872 . . . . 0.0 111.488 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.68 -38.35 80.27 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.858 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.56 -28.69 67.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 120.085 1.311 . . . . 0.0 113.086 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.2 mt -83.68 1.32 43.09 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.101 1.761 . . . . 0.0 112.967 173.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.11 26.15 72.98 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.173 -0.954 . . . . 0.0 114.289 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 98.4 mt -85.28 133.52 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 118.571 1.185 . . . . 0.0 110.246 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.56 -50.21 5.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.311 1.844 . . . . 0.0 111.655 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.1 p -158.21 161.75 37.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.261 1.025 . . . . 0.0 112.878 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.3 mp -115.61 139.62 49.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.253 1.421 . . . . 0.0 109.362 167.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -86.84 137.39 32.44 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.867 0.867 . . . . 0.0 111.518 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.25 -11.29 38.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 119.049 0.841 . . . . 0.0 113.119 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.71 135.89 39.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.951 1.251 . . . . 0.0 112.01 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -141.2 172.06 13.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.318 1.047 . . . . 0.0 113.648 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.46 142.81 45.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.478 2.311 . . . . 0.0 109.973 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -74.22 139.6 44.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 111.382 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.47 -35.65 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.957 1.303 . . . . 0.0 114.065 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 51.31 40.81 27.18 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.666 1.586 . . . . 0.0 113.644 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -89.69 121.09 31.54 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.766 1.626 . . . . 0.0 112.221 -168.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -71.22 125.08 25.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.1 mt -97.32 -34.31 11.11 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.931 0.892 . . . . 0.0 113.141 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.91 158.85 7.75 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 125.677 1.608 . . . . 0.0 112.6 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.5 m120 46.31 36.09 3.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 127.368 2.267 . . . . 0.0 114.97 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.99 -4.72 85.52 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 125.59 1.566 . . . . 0.0 116.745 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -83.56 135.41 34.64 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.091 1.445 . . . . 0.0 111.339 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 62.0 m -135.2 123.0 22.39 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 123.857 0.863 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -76.79 114.48 15.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.09 -52.78 8.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 118.794 0.725 . . . . 0.0 111.874 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -141.37 147.3 37.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 125.634 1.574 . . . . 0.0 111.052 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -133.65 142.09 47.9 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.939 1.295 . . . . 0.0 112.669 -173.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -140.33 -147.99 5.08 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 127.27 2.367 . . . . 0.0 111.233 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.9 m -126.24 164.77 20.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.898 1.279 . . . . 0.0 113.526 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -132.78 163.37 29.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.674 1.589 . . . . 0.0 109.254 155.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.5 m -122.97 139.82 53.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.775 1.23 . . . . 0.0 110.698 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.14 157.66 16.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.588 1.955 . . . . 0.0 111.64 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.2 p -63.84 -24.49 67.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -69.59 -4.4 19.03 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 94.1 -0.29 66.47 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 126.157 1.837 . . . . 0.0 115.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 2.0 m -85.96 151.46 23.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 119.34 1.57 . . . . 0.0 111.578 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.3 p -107.69 153.92 22.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.349 1.06 . . . . 0.0 112.341 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.92 164.12 33.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.479 1.512 . . . . 0.0 111.191 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -80.13 145.86 32.14 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 122.508 1.147 . . . . 0.0 112.991 -173.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.0 ptm -144.5 160.74 40.6 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.808 0.843 . . . . 0.0 110.329 162.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -170.38 172.45 44.04 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 118.424 0.557 . . . . 0.0 113.691 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -90.91 114.45 26.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.6 0.714 . . . . 0.0 109.938 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.8 tp -105.3 121.74 44.49 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.997 1.719 . . . . 0.0 110.731 -171.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 51.5 mt -78.62 121.5 24.74 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.85 1.26 . . . . 0.0 108.787 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.66 137.46 39.03 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.969 1.308 . . . . 0.0 111.602 -172.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -74.87 142.59 44.08 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -158.76 167.26 29.94 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.288 1.835 . . . . 0.0 111.422 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -85.13 138.54 32.33 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.957 -1.089 . . . . 0.0 112.169 167.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -68.04 -7.38 28.74 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -171.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.71 -20.24 31.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -126.86 -26.26 3.21 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 18.7 m 51.17 22.06 1.22 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.839 1.656 . . . . 0.0 114.677 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 45.35 37.11 2.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 128.71 2.804 . . . . 0.0 115.756 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.04 149.02 50.59 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.229 -0.92 . . . . 0.0 112.969 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 94.7 mt -77.71 74.28 4.27 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.813 1.645 . . . . 0.0 110.775 173.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.249 1.075 0 C-N-CA 126.042 1.737 . . . . 0.0 113.76 178.555 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 49.9 Cg_exo . . . . . 0 CA--C 1.519 -0.252 0 N-CA-C 113.304 0.463 . . . . 0.0 113.304 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.98 124.44 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.523 1.129 . . . . 0.0 112.703 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.81 143.29 49.49 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.585 2.354 . . . . 0.0 112.044 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -118.06 133.09 56.24 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 127.067 2.147 . . . . 0.0 109.703 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -74.16 120.69 20.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.6 -0.688 . . . . 0.0 109.329 167.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.45 -41.86 13.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -113.45 21.59 15.01 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.124 1.77 . . . . 0.0 114.96 -170.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.42 28.92 68.86 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 118.42 -1.211 . . . . 0.0 116.083 166.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -129.87 13.79 5.81 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.492 1.646 . . . . 0.0 114.324 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.49 162.03 38.04 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.911 1.243 . . . . 0.0 113.49 -173.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -78.86 120.86 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 O-C-N 121.781 -0.835 . . . . 0.0 109.457 -176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.96 132.59 38.27 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.926 1.29 . . . . 0.0 111.778 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -135.23 159.86 40.21 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.598 1.159 . . . . 0.0 113.811 -166.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.4 m -143.79 171.11 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 C-N-CA 127.311 2.244 . . . . 0.0 111.201 -172.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.05 163.46 27.84 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 172.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 p -65.72 145.74 55.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -140.19 -27.91 0.74 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 127.149 2.18 . . . . 0.0 113.78 171.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.41 168.03 27.96 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 124.551 1.072 . . . . 0.0 114.909 -171.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -151.79 150.21 29.9 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.673 1.189 . . . . 0.0 111.185 164.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m 51.53 35.81 15.41 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 126.046 1.738 . . . . 0.0 115.319 165.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.61 -0.83 68.19 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 125.53 1.538 . . . . 0.0 114.728 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -101.03 158.52 15.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.813 1.645 . . . . 0.0 112.803 171.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.44 136.58 43.35 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.539 1.536 . . . . 0.0 111.364 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -163.44 156.57 18.83 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.58 1.952 . . . . 0.0 111.334 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -105.82 -2.62 22.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -91.5 -114.64 0.08 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.448 1.499 . . . . 0.0 111.899 171.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -139.9 -20.76 0.89 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.037 1.335 . . . . 0.0 114.247 -173.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 45.37 53.09 8.48 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 127.24 2.216 . . . . 0.0 114.202 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -148.08 -38.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -172.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 158.88 173.05 26.78 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 126.72 2.105 . . . . 0.0 112.138 -177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.4 pt -82.21 -3.62 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -169.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -120.63 -5.76 9.72 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 175.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 m -76.59 136.87 39.25 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.989 1.315 . . . . 0.0 111.643 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.68 127.25 38.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.257 1.423 . . . . 0.0 111.057 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 p -155.34 155.49 33.77 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.214 1.406 . . . . 0.0 112.659 -164.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.58 -144.97 6.51 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 125.391 1.472 . . . . 0.0 112.096 169.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.26 168.72 25.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.106 1.362 . . . . 0.0 112.74 173.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.4 m -88.16 143.93 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -64.22 160.59 18.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.233 163.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.05 -17.43 52.33 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 120.798 -1.189 . . . . 0.0 114.133 169.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.82 -19.73 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 127.354 2.262 . . . . 0.0 114.595 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -137.41 170.36 16.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.016 2.126 . . . . 0.0 113.919 -176.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.88 153.55 19.8 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 123.989 0.804 . . . . 0.0 114.813 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 mt -101.21 139.32 37.06 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.274 1.83 . . . . 0.0 110.998 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 tp -77.03 127.76 33.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.222 0.609 . . . . 0.0 110.248 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.2 m -144.48 162.33 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.299 1.04 . . . . 0.0 112.64 -170.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -146.25 131.33 18.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.308 1.443 . . . . 0.0 109.921 164.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.77 123.41 23.27 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 122.899 0.48 . . . . 0.0 110.323 169.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.8 1.94 29.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.218 1.407 . . . . 0.0 113.701 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.92 13.45 3.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.48 9.82 69.47 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 170.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -80.84 -6.1 58.15 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.722 2.261 . . . . 0.0 114.034 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.34 89.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 124.895 1.236 . . . . 0.0 115.835 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.1 pt -135.42 166.79 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.914 1.686 . . . . 0.0 112.736 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -100.13 114.61 39.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 125.575 1.55 . . . . 0.0 109.469 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -147.28 -25.22 0.39 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -87.59 148.04 25.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 120.119 1.327 . . . . 0.0 110.866 172.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.22 -18.61 35.87 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 117.146 1.618 . . . . 0.0 117.146 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.68 -14.08 35.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -78.4 -24.5 46.25 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.0 pt? -89.87 134.31 34.27 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.271 1.028 . . . . 0.0 110.348 161.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.0 m-85 -69.97 107.23 3.5 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 122.953 0.501 . . . . 0.0 111.885 -172.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.91 -171.53 23.97 Favored Glycine 0 C--N 1.341 0.846 0 C-N-CA 125.032 1.301 . . . . 0.0 112.1 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -71.34 1.87 5.62 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -100.22 -14.6 18.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.04 1.336 . . . . 0.0 112.902 170.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -68.36 149.53 49.28 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.629 1.172 . . . . 0.0 109.713 163.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -95.31 158.97 15.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.401 1.08 . . . . 0.0 113.513 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.45 169.88 17.41 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.291 1.436 . . . . 0.0 110.833 162.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.4 69.1 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -88.19 13.28 11.73 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 119.754 1.161 . . . . 0.0 113.943 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.49 1.6 86.61 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 126.016 1.769 . . . . 0.0 115.076 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -72.21 161.51 30.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 119.458 1.629 . . . . 0.0 112.487 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -68.82 148.97 49.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.117 0.567 . . . . 0.0 112.353 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.79 148.82 24.49 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 124.856 1.263 . . . . 0.0 111.275 171.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -77.19 -32.48 56.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.78 170.25 22.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 127.827 2.451 . . . . 0.0 111.006 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.53 -28.41 73.59 Favored Glycine 0 C--N 1.338 0.664 0 O-C-N 121.109 -0.995 . . . . 0.0 114.564 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.37 -41.1 94.15 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.833 1.316 . . . . 0.0 112.045 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.27 83.5 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 118.927 0.785 . . . . 0.0 112.554 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.5 81.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.75 -36.8 73.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.051 0.94 . . . . 0.0 112.914 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.51 -19.41 63.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.84 -17.99 64.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.5 mt -94.58 1.21 55.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.84 127.04 32.22 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.329 0.968 . . . . 0.0 110.908 164.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.9 m -88.71 -15.94 33.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -109.61 -21.78 12.28 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -159.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.66 38.34 57.23 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 123.884 0.754 . . . . 0.0 112.664 -165.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 43.3 p30 -110.08 -0.32 18.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.715 1.206 . . . . 0.0 113.253 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 t30 59.58 23.25 11.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 127.147 2.179 . . . . 0.0 115.838 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.5 pt -135.69 154.24 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 124.482 1.113 . . . . 0.0 112.812 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -103.76 114.56 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -147.07 172.27 14.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.625 1.97 . . . . 0.0 111.369 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.26 -16.08 12.64 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.33 -22.28 60.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 171.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -81.48 130.44 35.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.908 1.283 . . . . 0.0 111.164 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.141 -1.6 . . . . 0.0 112.865 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.96 -25.82 65.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 171.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -62.91 -25.84 68.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 O-C-N 120.163 -1.585 . . . . 0.0 112.844 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.17 -25.29 36.93 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.571 1.148 . . . . 0.0 113.583 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 p -101.14 -21.05 15.07 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.75 146.79 44.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 112.284 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -141.6 170.2 16.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 126.933 2.093 . . . . 0.0 110.469 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.9 t -114.89 138.85 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 124.33 1.052 . . . . 0.0 109.158 164.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -118.6 132.44 56.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.462 1.028 . . . . 0.0 109.836 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.49 128.07 45.09 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 124.124 0.969 . . . . 0.0 109.602 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -87.07 79.09 8.79 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.38 1.086 . . . . 0.0 111.251 -172.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.1 -17.38 39.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.468 1.507 . . . . 0.0 113.711 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -112.25 4.21 17.62 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.153 1.381 . . . . 0.0 113.734 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 46.46 60.96 2.99 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 126.52 1.928 . . . . 0.0 113.598 169.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -127.73 -16.87 4.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.055 1.742 . . . . 0.0 113.764 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.42 5.5 82.2 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.149 1.833 . . . . 0.0 115.276 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.1 mt -116.52 140.62 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 127.66 2.384 . . . . 0.0 108.733 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.5 t -93.19 138.74 31.32 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -130.08 144.74 51.51 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.052 1.741 . . . . 0.0 109.552 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -30.13 69.54 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -173.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -73.24 -16.14 61.41 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -86.33 -9.19 56.9 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.533 1.533 . . . . 0.0 113.72 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.8 mp -84.41 135.5 34.25 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.361 -0.837 . . . . 0.0 111.793 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -113.7 144.81 42.32 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 128.318 2.647 . . . . 0.0 110.382 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.1 p -76.47 162.58 27.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.95 0.5 . . . . 0.0 111.656 165.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.01 -39.96 94.18 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.551 -0.718 . . . . 0.0 111.243 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.98 -45.32 94.17 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.878 1.271 . . . . 0.0 112.603 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.79 -19.17 63.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.397 0.999 . . . . 0.0 113.142 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -92.21 -1.79 56.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.976 1.31 . . . . 0.0 113.6 169.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.93 18.72 79.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 124.958 1.266 . . . . 0.0 115.457 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 84.4 mt -78.89 124.84 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 119.093 1.446 . . . . 0.0 109.687 -174.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -92.7 -48.71 6.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.557 1.543 . . . . 0.0 111.697 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.5 p -161.85 161.32 28.91 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 113.015 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.9 mt -107.04 146.52 31.07 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.355 1.462 . . . . 0.0 111.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -93.17 130.85 38.69 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.756 1.222 . . . . 0.0 110.726 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.24 -2.46 58.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.36 147.28 23.15 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.721 1.146 . . . . 0.0 112.18 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -157.12 170.88 21.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.511 1.524 . . . . 0.0 110.831 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -122.92 141.88 51.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.021 1.329 . . . . 0.0 110.129 169.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -71.92 127.79 33.69 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 123.596 0.759 . . . . 0.0 110.254 167.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.4 m -126.86 -23.74 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.924 1.29 . . . . 0.0 113.161 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.7 m120 50.37 36.66 13.56 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 125.078 1.351 . . . . 0.0 113.993 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -80.84 114.08 19.48 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 127.447 2.299 . . . . 0.0 111.132 -165.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -66.43 133.71 50.99 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.859 -0.525 . . . . 0.0 111.175 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.5 mt -117.9 8.56 12.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.94 1.296 . . . . 0.0 113.364 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.62 169.62 26.96 Favored Glycine 0 CA--C 1.523 0.58 0 O-C-N 120.713 -1.242 . . . . 0.0 114.177 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 54.34 28.68 9.68 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.944 1.297 . . . . 0.0 114.232 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.58 3.5 89.66 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.907 1.242 . . . . 0.0 115.932 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -86.17 143.04 28.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.639 1.72 . . . . 0.0 112.344 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -142.16 130.19 21.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 109.942 170.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.7 tp -91.76 107.64 19.35 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.36 -47.64 13.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -170.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -128.52 139.95 52.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.677 1.591 . . . . 0.0 110.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -132.09 140.76 48.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.314 1.446 . . . . 0.0 112.363 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.72 -152.44 5.83 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 128.131 2.777 . . . . 0.0 112.188 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 81.2 p -143.13 170.67 15.3 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -132.97 157.15 45.89 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 127.424 2.289 . . . . 0.0 112.048 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 35.9 m -104.05 138.99 39.79 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 125.216 1.406 . . . . 0.0 111.293 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -103.64 155.91 18.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.099 1.76 . . . . 0.0 114.02 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.5 p -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.899 1.279 . . . . 0.0 113.661 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -78.9 9.8 3.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.728 1.211 . . . . 0.0 114.115 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.45 8.06 87.52 Favored Glycine 0 C--O 1.221 -0.661 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 8.5 m -85.9 144.09 27.86 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.831 1.316 . . . . 0.0 111.753 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 99.7 m -108.92 133.68 52.6 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.625 1.17 . . . . 0.0 110.489 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -134.4 157.39 46.54 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.52 1.528 . . . . 0.0 113.032 -167.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.46 141.31 32.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.559 1.543 . . . . 0.0 112.456 -168.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -150.58 163.69 37.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.529 1.132 . . . . 0.0 112.669 168.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.53 173.85 46.46 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.179 0.445 . . . . 0.0 114.165 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -87.92 117.56 26.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 121.936 -0.744 . . . . 0.0 110.484 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 46.2 tp -110.72 126.93 55.07 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.982 1.713 . . . . 0.0 110.564 -172.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.96 88.24 2.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 122.663 1.221 . . . . 0.0 109.632 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 pp -116.36 148.79 40.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.243 2.217 . . . . 0.0 111.841 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -73.18 128.87 36.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -146.51 166.72 25.6 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.89 1.276 . . . . 0.0 112.241 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -69.54 118.5 12.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.156 -0.965 . . . . 0.0 111.374 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -90.9 138.67 31.42 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.328 1.451 . . . . 0.0 112.011 -171.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 77.7 mt -105.1 -34.01 8.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -128.72 -2.7 5.35 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -167.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 20.4 m 53.71 21.39 2.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 127.078 2.151 . . . . 0.0 115.873 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 57.84 -172.06 0.1 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 127.633 2.373 . . . . 0.0 115.216 172.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -59.76 137.02 58.17 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.628 1.571 . . . . 0.0 112.059 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.29 153.48 29.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 123.86 0.864 . . . . 0.0 112.154 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.249 1.073 0 C-N-CA 126.528 1.931 . . . . 0.0 112.187 175.268 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 12.9 Cg_exo . . . . . 0 N--CA 1.463 -0.266 0 CA-C-O 118.481 -0.716 . . . . 0.0 112.7 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.01 121.45 12.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.88 0.763 . . . . 0.0 111.351 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.32 145.0 45.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.566 2.347 . . . . 0.0 110.84 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.75 136.81 53.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.76 1.624 . . . . 0.0 110.362 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.78 110.28 16.96 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.29 -24.51 23.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -165.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -113.02 -7.8 13.67 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.06 32.98 9.22 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 120.656 -1.278 . . . . 0.0 115.309 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -131.57 19.67 4.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.52 1.66 . . . . 0.0 113.835 174.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.36 154.5 31.02 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 126.59 2.043 . . . . 0.0 114.626 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -75.16 120.36 24.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 124.773 1.229 . . . . 0.0 109.309 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -120.93 143.81 48.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -114.85 158.17 22.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.6 167.1 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 126.254 1.822 . . . . 0.0 110.368 170.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.3 142.66 46.81 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 124.322 1.049 . . . . 0.0 110.63 164.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.7 p -142.95 163.21 33.41 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 127.296 2.239 . . . . 0.0 111.281 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -88.32 31.02 0.83 Allowed 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 120.621 -1.3 . . . . 0.0 114.224 177.701 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.66 -147.25 43.46 Favored Glycine 0 C--O 1.22 -0.743 0 C-N-CA 123.835 0.731 . . . . 0.0 111.729 -168.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -73.31 -57.24 4.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.045 -0.68 . . . . 0.0 109.573 166.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -154.32 159.48 41.23 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 126.345 1.858 . . . . 0.0 111.108 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.47 153.62 39.63 Favored Glycine 0 C--O 1.237 0.327 0 C-N-CA 124.773 1.178 . . . . 0.0 115.318 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 m -102.59 -21.67 14.12 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.953 1.701 . . . . 0.0 112.746 170.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -137.81 158.33 44.58 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.669 2.388 . . . . 0.0 110.508 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -62.24 -21.75 65.42 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.711 1.204 . . . . 0.0 113.939 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.52 -26.48 32.01 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 173.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -92.38 3.17 55.97 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -114.88 -28.06 7.18 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.734 1.614 . . . . 0.0 113.42 169.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -49.15 -44.82 43.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.901 2.08 . . . . 0.0 115.083 -172.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 p30 -113.05 -15.86 12.74 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.171 0.989 . . . . 0.0 113.307 174.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.56 13.82 61.46 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 118.729 -1.039 . . . . 0.0 114.856 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 pt -121.3 -22.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 119.091 1.445 . . . . 0.0 113.395 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -56.16 123.83 15.81 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 119.668 1.122 . . . . 0.0 111.4 173.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -91.57 164.41 13.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.442 1.097 . . . . 0.0 112.06 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.81 -20.17 3.94 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.815 1.246 . . . . 0.0 114.09 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 p -142.73 131.23 22.38 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 126.017 1.727 . . . . 0.0 111.25 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.66 136.32 13.46 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 160.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -148.0 166.13 28.67 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.032 0.916 . . . . 0.0 112.67 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.52 127.59 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 124.995 1.318 . . . . 0.0 109.897 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -55.76 152.4 9.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.424 -0.798 . . . . 0.0 112.338 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.95 -9.8 4.8 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 172.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.8 -28.93 69.81 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.344 1.458 . . . . 0.0 113.306 166.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -129.8 -171.57 2.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.675 2.79 . . . . 0.0 112.572 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 174.67 38.42 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 116.344 1.297 . . . . 0.0 116.344 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.74 144.56 30.28 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.406 1.882 . . . . 0.0 111.31 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.94 132.33 39.0 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.199 0.6 . . . . 0.0 110.071 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.96 164.44 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 124.188 0.995 . . . . 0.0 113.034 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -152.16 125.51 8.76 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.378 1.471 . . . . 0.0 110.105 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -77.66 128.88 34.81 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 118.438 0.563 . . . . 0.0 110.004 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -105.44 -6.45 19.48 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.41 -0.85 6.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.62 38.75 57.12 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -108.75 -3.5 17.73 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.7 7.08 88.78 Favored Glycine 0 C--N 1.339 0.748 0 C-N-CA 125.201 1.382 . . . . 0.0 115.772 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 pt -133.04 155.34 41.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 119.318 1.559 . . . . 0.0 112.683 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.8 mm -99.91 102.36 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 126.112 1.765 . . . . 0.0 107.776 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -120.29 -3.99 9.97 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -162.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -153.63 160.84 42.52 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.234 1.414 . . . . 0.0 111.83 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.52 -16.87 63.72 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 116.213 1.245 . . . . 0.0 116.213 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -13.1 60.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.446 1.123 . . . . 0.0 113.866 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -92.38 -7.61 47.24 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.409 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.19 166.37 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.705 2.002 . . . . 0.0 110.342 160.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 96.6 m-85 -101.09 107.02 18.34 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.99 164.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.48 -167.36 35.04 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.443 1.02 . . . . 0.0 113.425 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -70.85 3.16 3.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 116.304 1.964 . . . . 0.0 116.304 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -124.0 14.18 9.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.503 1.521 . . . . 0.0 111.87 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.3 m -89.41 148.2 23.62 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.264 1.826 . . . . 0.0 110.569 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.53 148.92 23.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.08 175.7 7.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.688 2.395 . . . . 0.0 110.949 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -30.46 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -79.77 1.29 27.28 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.983 1.313 . . . . 0.0 113.486 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 0.53 87.99 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.571 1.558 . . . . 0.0 113.967 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.2 p -78.51 161.55 26.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 119.014 1.407 . . . . 0.0 110.916 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -87.43 141.89 28.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.61 -1.306 . . . . 0.0 112.99 -174.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 137.96 47.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.677 1.191 . . . . 0.0 111.364 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -70.52 -25.66 63.23 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -159.63 171.16 20.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.111 2.165 . . . . 0.0 111.752 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.95 -26.06 71.11 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.63 -38.7 54.25 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 119.164 1.482 . . . . 0.0 112.496 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.26 73.9 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 119.155 0.889 . . . . 0.0 111.82 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.019 0.928 . . . . 0.0 113.18 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -75.24 -32.39 61.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.885 0.874 . . . . 0.0 112.979 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -18.69 59.78 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.776 1.23 . . . . 0.0 114.256 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.7 -22.96 49.18 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 113.754 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.5 mt -103.51 2.53 33.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -166.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -75.1 125.17 28.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.377 -0.827 . . . . 0.0 109.939 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -91.73 -30.36 16.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -109.22 -3.95 16.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.53 62.0 4.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.745 1.164 . . . . 0.0 112.011 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -122.81 3.28 9.48 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.34 1.056 . . . . 0.0 113.692 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.5 t30 67.92 20.07 9.32 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.716 1.607 . . . . 0.0 115.161 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 pt -135.55 155.54 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 C-N-CA 125.014 1.326 . . . . 0.0 112.583 169.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mm -105.07 119.1 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.494 1.517 . . . . 0.0 109.113 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -152.69 169.21 23.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.785 1.234 . . . . 0.0 111.561 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 -25.2 65.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.16 -14.12 61.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -84.22 134.03 34.56 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 119.842 1.201 . . . . 0.0 112.498 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.82 65.35 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -171.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.41 -19.08 58.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.055 1.742 . . . . 0.0 114.691 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -61.07 -33.02 72.66 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.813 1.188 . . . . 0.0 113.025 -169.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.84 -28.77 66.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -86.34 -11.47 52.01 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 93.0 mt -76.35 137.79 40.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.816 -1.178 . . . . 0.0 112.538 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -136.95 170.43 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.822 1.649 . . . . 0.0 110.683 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.8 t -123.05 134.37 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.763 1.225 . . . . 0.0 109.171 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -102.49 124.85 48.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.975 1.31 . . . . 0.0 109.764 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -117.7 102.2 8.95 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.572 1.549 . . . . 0.0 108.262 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.04 111.63 12.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.359 -0.838 . . . . 0.0 109.572 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.5 mt -73.05 -11.01 60.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.69 1.196 . . . . 0.0 113.263 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -113.87 -8.29 13.15 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 126.263 1.825 . . . . 0.0 113.477 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.93 33.29 11.36 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.484 1.913 . . . . 0.0 113.883 -172.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -92.1 -6.99 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.65 22.36 72.6 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 124.124 0.869 . . . . 0.0 114.774 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -121.96 122.11 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 C-N-CA 126.826 2.051 . . . . 0.0 107.788 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -87.76 139.75 30.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.862 0.865 . . . . 0.0 113.04 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -129.71 154.11 47.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.378 1.471 . . . . 0.0 109.641 169.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.46 69.07 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -71.1 -8.47 53.66 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.18 -8.4 36.38 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.362 1.465 . . . . 0.0 112.798 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.4 mt -89.54 151.29 22.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.27 1.028 . . . . 0.0 110.944 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -133.14 146.41 51.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.292 1.837 . . . . 0.0 110.533 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.5 p -69.18 155.14 40.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.222 1.009 . . . . 0.0 111.153 165.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.5 mt -66.91 -28.66 68.49 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 120.809 -1.182 . . . . 0.0 110.943 165.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.18 -46.86 87.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.794 1.238 . . . . 0.0 112.566 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.6 -19.15 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.08 -13.71 43.5 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.631 1.172 . . . . 0.0 112.462 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.66 42.27 87.93 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 124.755 1.169 . . . . 0.0 113.223 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.69 130.84 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.153 0.981 . . . . 0.0 109.566 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.03 -45.41 5.95 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.126 1.77 . . . . 0.0 112.175 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.0 p -160.05 166.48 29.85 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.843 1.257 . . . . 0.0 111.857 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 mp -127.65 144.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -84.32 143.3 29.59 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.036 0.935 . . . . 0.0 113.323 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 76.3 mt -100.65 -3.46 30.31 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.392 1.477 . . . . 0.0 112.627 163.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.93 122.83 26.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.62 1.168 . . . . 0.0 110.648 164.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -137.27 164.25 29.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.712 1.605 . . . . 0.0 113.332 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -128.16 139.54 52.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.186 2.195 . . . . 0.0 110.114 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.12 125.52 28.52 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 118.774 0.716 . . . . 0.0 109.242 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.52 -29.98 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 49.12 39.68 15.78 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 126.253 1.821 . . . . 0.0 114.412 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -75.18 131.18 40.26 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.137 1.375 . . . . 0.0 111.345 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -84.41 114.7 22.09 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.583 1.083 . . . . 0.0 109.48 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.31 17.41 12.87 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.766 1.226 . . . . 0.0 113.778 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.41 170.05 41.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 124.674 1.13 . . . . 0.0 113.315 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 52.5 26.7 4.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.633 1.973 . . . . 0.0 114.83 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 9.86 82.64 Favored Glycine 0 C--N 1.344 1.002 0 C-N-CA 126.085 1.803 . . . . 0.0 116.434 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -102.26 140.98 35.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.021 1.41 . . . . 0.0 112.363 -172.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.9 m -128.83 117.44 21.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.886 0.875 . . . . 0.0 112.394 -173.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.5 tp -80.06 97.45 6.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.301 1.44 . . . . 0.0 108.961 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.46 -55.82 10.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.238 0.615 . . . . 0.0 112.626 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -131.32 142.75 50.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.974 1.31 . . . . 0.0 110.226 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -135.53 141.43 45.24 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.939 1.296 . . . . 0.0 112.116 -168.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.65 -149.78 5.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 127.319 2.39 . . . . 0.0 111.627 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 66.6 m -138.05 166.17 24.76 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 123.948 0.899 . . . . 0.0 113.337 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -131.34 162.57 29.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.003 1.721 . . . . 0.0 110.533 165.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.4 m -116.87 140.62 49.24 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.077 1.351 . . . . 0.0 110.722 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -99.49 159.86 14.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.661 1.584 . . . . 0.0 111.819 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 40.8 p -68.45 -14.79 63.25 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -82.05 6.41 16.34 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 166.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.61 -3.86 85.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 125.692 1.615 . . . . 0.0 115.974 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 54.8 p -76.88 153.89 34.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.205 1.502 . . . . 0.0 113.264 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 2.8 m -111.97 139.2 47.66 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.455 1.502 . . . . 0.0 110.15 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.6 45.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 111.69 -164.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -93.92 145.64 24.48 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -167.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -153.99 164.58 38.2 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.743 1.217 . . . . 0.0 112.86 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.9 171.82 44.37 Favored Glycine 0 N--CA 1.439 -1.122 0 O-C-N 121.246 -0.909 . . . . 0.0 114.896 173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -82.96 105.2 13.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.517 1.127 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 51.5 tp -97.43 114.17 25.97 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.888 1.675 . . . . 0.0 110.855 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 40.9 mt -75.34 130.03 38.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.054 1.341 . . . . 0.0 108.768 169.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 73.8 mt -103.33 148.28 26.05 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.724 1.21 . . . . 0.0 112.053 -169.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -85.79 148.64 25.74 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 123.917 0.887 . . . . 0.0 113.352 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -156.32 140.61 16.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.518 1.127 . . . . 0.0 112.809 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -85.95 129.17 34.92 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.076 1.351 . . . . 0.0 112.489 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -60.8 -29.05 69.22 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 118.127 -0.939 . . . . 0.0 113.39 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 21.5 mt -76.44 5.64 6.93 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 120.033 1.288 . . . . 0.0 114.245 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -125.84 -50.07 1.6 Allowed 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.548 1.539 . . . . 0.0 111.887 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 93.8 p -65.67 -33.02 74.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -175.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -87.7 -4.64 58.9 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.03 1.332 . . . . 0.0 113.849 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -117.01 83.77 2.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.593 1.957 . . . . 0.0 110.788 -170.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 76.5 mt -121.62 20.98 10.99 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.899 2.08 . . . . 0.0 113.008 -169.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.586 1.555 . . . . 0.0 111.887 176.286 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 CA--C 1.519 -0.27 0 N-CA-C 112.908 0.311 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.33 125.98 28.35 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.47 148.96 42.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.22 2.208 . . . . 0.0 111.856 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -119.45 139.6 51.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.249 2.22 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -82.51 100.33 10.03 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.43 1.492 . . . . 0.0 110.66 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.25 95.4 mt -91.44 -19.66 22.61 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -168.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -100.25 -8.63 23.27 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 121.071 1.759 . . . . 0.0 114.338 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.92 27.76 15.64 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 165.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -123.0 15.35 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.288 1.544 . . . . 0.0 114.446 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.23 154.03 28.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 126.696 2.094 . . . . 0.0 113.104 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.67 135.75 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 121.244 -1.151 . . . . 0.0 110.216 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -129.95 152.9 48.91 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.389 1.476 . . . . 0.0 113.351 -175.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.6 p -137.07 151.1 48.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.6 1.56 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -141.76 139.35 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 125.473 1.509 . . . . 0.0 110.39 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.73 148.29 31.66 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 124.301 1.04 . . . . 0.0 111.583 162.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.6 m -68.05 122.78 18.98 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.105 -0.997 . . . . 0.0 111.257 -170.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.8 mttt 56.47 16.59 2.55 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 126.952 2.101 . . . . 0.0 114.411 -169.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.33 148.28 51.03 Favored Glycine 0 C--N 1.334 0.426 0 O-C-N 121.271 -0.893 . . . . 0.0 112.833 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -147.98 4.51 0.74 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.045 0.938 . . . . 0.0 113.511 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -63.0 -34.31 77.29 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 120.719 -1.238 . . . . 0.0 113.123 -168.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.62 -27.41 70.94 Favored Glycine 0 C--O 1.224 -0.483 0 CA-C-N 119.161 0.891 . . . . 0.0 114.17 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -83.64 6.52 20.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.485 1.514 . . . . 0.0 113.846 171.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.99 -42.56 2.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.364 1.465 . . . . 0.0 112.704 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -151.33 170.58 19.19 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.975 1.31 . . . . 0.0 113.0 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -55.74 111.02 0.81 Allowed 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.356 1.862 . . . . 0.0 113.445 -174.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -61.85 -19.37 62.53 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -67.77 -27.19 66.55 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.693 -1.254 . . . . 0.0 112.286 173.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -82.37 -11.8 58.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.077 1.351 . . . . 0.0 112.996 174.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -110.84 -9.25 14.47 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 126.044 1.738 . . . . 0.0 113.756 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.73 -11.96 58.57 Favored Glycine 0 N--CA 1.445 -0.716 0 O-C-N 121.092 -1.005 . . . . 0.0 115.286 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 tp -85.38 -16.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 119.309 1.554 . . . . 0.0 113.482 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -68.81 175.29 3.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.472 1.509 . . . . 0.0 112.885 166.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.6 p -62.49 143.53 57.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.626 1.171 . . . . 0.0 113.348 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.99 128.94 37.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -169.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -129.77 -14.15 4.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 125.315 1.446 . . . . 0.0 114.219 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.67 168.13 41.38 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 119.829 1.195 . . . . 0.0 113.894 166.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -126.12 168.74 13.59 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.455 1.502 . . . . 0.0 111.155 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.07 137.5 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.887 0.875 . . . . 0.0 111.82 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 t -62.45 152.6 33.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.354 1.062 . . . . 0.0 113.12 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.34 -22.08 65.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.09 -8.09 59.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -118.15 -173.67 2.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.861 2.465 . . . . 0.0 111.907 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.16 179.63 39.59 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 120.062 -1.649 . . . . 0.0 114.759 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.21 143.88 44.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.751 1.621 . . . . 0.0 112.186 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.7 127.34 32.82 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 123.979 0.912 . . . . 0.0 109.829 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.93 159.35 14.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 124.3 1.04 . . . . 0.0 112.462 -168.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -154.28 131.58 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.229 1.012 . . . . 0.0 111.715 169.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.67 124.98 25.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.591 1.157 . . . . 0.0 112.281 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.8 mt -107.18 -3.38 19.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.568 . . . . 0.0 114.764 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -127.06 17.66 7.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.09 25.36 75.48 Favored Glycine 0 C--N 1.342 0.863 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 167.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -106.17 -4.46 20.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.341 1.456 . . . . 0.0 114.342 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.89 -3.71 74.22 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 125.824 1.678 . . . . 0.0 115.961 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.23 165.97 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.075 1.75 . . . . 0.0 112.163 -175.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -105.85 106.91 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 125.602 1.561 . . . . 0.0 108.944 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -144.83 13.22 1.48 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -169.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -137.83 142.72 40.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.427 1.091 . . . . 0.0 111.226 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.18 -15.78 45.76 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 -173.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.9 -15.54 34.12 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.82 1.31 . . . . 0.0 114.023 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -75.86 -22.94 55.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.671 1.188 . . . . 0.0 112.201 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.95 129.81 35.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.927 1.291 . . . . 0.0 108.242 160.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -66.5 108.07 2.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.34 0.518 . . . . 0.0 112.198 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.84 -166.43 21.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 124.505 1.05 . . . . 0.0 113.392 -171.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -79.77 6.17 11.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.753 1.221 . . . . 0.0 114.188 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.78 -5.77 19.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.271 1.428 . . . . 0.0 113.111 165.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -77.81 144.7 36.87 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.409 1.483 . . . . 0.0 110.033 165.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -98.13 159.87 14.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.53 170.86 9.83 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 128.229 2.612 . . . . 0.0 110.531 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.79 -20.46 65.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -170.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -87.49 1.64 52.92 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 125.759 1.624 . . . . 0.0 113.137 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 -1.34 88.92 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 125.504 1.526 . . . . 0.0 116.285 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -68.21 155.4 39.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.55 1.675 . . . . 0.0 111.848 166.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -76.77 145.54 38.49 Favored 'General case' 0 N--CA 1.441 -0.917 0 O-C-N 121.357 -0.839 . . . . 0.0 111.085 173.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.86 154.55 39.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.612 -0.68 . . . . 0.0 112.824 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.42 -47.4 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.562 1.545 . . . . 0.0 110.996 167.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.3 172.15 17.11 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 127.443 2.297 . . . . 0.0 110.178 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.94 -27.62 62.4 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 121.178 -0.951 . . . . 0.0 115.124 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.28 -37.44 80.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 118.38 1.09 . . . . 0.0 113.293 174.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.98 73.74 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.526 -0.734 . . . . 0.0 112.239 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.83 76.42 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 173.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.16 -40.96 43.61 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.197 1.399 . . . . 0.0 112.54 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -23.44 65.9 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.37 -22.55 61.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.744 1.217 . . . . 0.0 112.976 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.5 mt -91.06 -5.8 54.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.097 1.359 . . . . 0.0 114.468 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -73.02 124.87 26.35 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 119.413 1.006 . . . . 0.0 110.255 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.1 p -81.15 -17.43 49.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.654 1.182 . . . . 0.0 114.041 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -111.51 -24.92 9.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -167.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.27 28.84 73.56 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 118.655 0.662 . . . . 0.0 113.281 -158.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -90.06 7.33 38.29 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.528 1.131 . . . . 0.0 112.61 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 63.88 25.28 13.96 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.933 2.093 . . . . 0.0 114.48 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.76 152.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.258 1.423 . . . . 0.0 113.022 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.6 123.07 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -151.4 175.92 11.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.494 1.918 . . . . 0.0 111.284 -172.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.99 -16.17 16.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -175.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.64 65.97 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 120.355 1.434 . . . . 0.0 114.305 168.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -92.97 139.51 30.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.441 1.496 . . . . 0.0 111.893 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.76 70.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.032 -1.043 . . . . 0.0 113.316 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.48 66.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.66 -25.67 68.25 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.791 1.178 . . . . 0.0 113.191 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -91.57 -19.61 22.56 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 172.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.7 p -97.49 -25.43 15.18 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 121.43 1.923 . . . . 0.0 114.844 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.35 151.47 40.74 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.344 1.457 . . . . 0.0 112.011 171.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -136.54 166.71 22.87 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.718 1.607 . . . . 0.0 110.337 172.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.6 t -123.9 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.055 1.342 . . . . 0.0 108.911 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -120.93 127.95 52.31 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.709 1.203 . . . . 0.0 112.045 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -116.39 108.86 16.58 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.166 1.386 . . . . 0.0 109.957 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -81.71 72.41 8.76 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.958 0.903 . . . . 0.0 111.426 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.19 -24.34 67.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -105.98 8.75 32.6 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 54.78 61.15 3.1 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.403 1.881 . . . . 0.0 114.153 164.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -133.98 -1.03 3.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.16 67.64 Favored Glycine 0 CA--C 1.527 0.781 0 O-C-N 120.629 -1.295 . . . . 0.0 115.998 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.1 mt -97.21 137.83 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 119.47 1.635 . . . . 0.0 109.101 174.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.8 p -94.84 149.95 20.7 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.901 1.28 . . . . 0.0 112.454 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -138.38 158.95 43.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.654 1.982 . . . . 0.0 110.527 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.2 74.76 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.344 -0.847 . . . . 0.0 113.185 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -77.25 -7.39 55.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 174.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -100.49 -17.7 17.02 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 113.666 170.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.9 mt -84.85 152.47 23.58 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.391 1.477 . . . . 0.0 112.057 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -143.61 151.18 39.85 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.393 2.277 . . . . 0.0 111.513 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.4 p -73.74 162.91 28.64 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.035 1.334 . . . . 0.0 111.513 159.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.11 -35.57 74.21 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.1 -39.88 82.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.583 0.753 . . . . 0.0 113.021 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.34 -23.04 61.09 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.9 mt -78.2 -1.39 32.59 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.562 1.545 . . . . 0.0 113.631 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.41 26.05 71.18 Favored Glycine 0 C--O 1.219 -0.785 0 C-N-CA 124.97 1.271 . . . . 0.0 114.85 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.8 mt -82.21 133.2 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 118.658 1.229 . . . . 0.0 109.933 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -97.42 -39.94 8.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.408 1.483 . . . . 0.0 111.932 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.3 p -157.92 154.42 27.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 38.7 mt -100.1 135.75 41.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.238 1.415 . . . . 0.0 109.122 165.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.39 143.46 30.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 119.046 0.839 . . . . 0.0 112.525 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.85 3.99 26.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.193 1.397 . . . . 0.0 113.957 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.24 135.2 33.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 111.197 162.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -159.05 161.42 36.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.135 1.374 . . . . 0.0 111.461 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -125.42 146.87 49.42 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.564 1.946 . . . . 0.0 110.758 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -74.22 129.59 38.11 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.541 0.736 . . . . 0.0 109.84 171.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.11 -20.79 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.6 m120 48.22 35.77 5.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -91.97 122.47 34.52 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.411 1.484 . . . . 0.0 112.434 -164.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -84.93 138.33 32.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 111.938 -175.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.58 17.78 9.61 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 125.39 1.476 . . . . 0.0 114.572 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.24 172.05 5.43 Favored Glycine 0 C--N 1.333 0.416 0 O-C-N 120.213 -1.555 . . . . 0.0 113.354 -168.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 50.34 32.64 6.53 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.026 1.73 . . . . 0.0 114.319 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 62.58 11.69 36.61 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 117.223 1.649 . . . . 0.0 117.223 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -84.33 138.72 32.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.589 1.195 . . . . 0.0 110.488 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.7 m -139.96 138.17 35.32 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.119 0.968 . . . . 0.0 110.572 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -93.4 108.3 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.772 1.629 . . . . 0.0 108.553 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.19 18.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -129.27 141.99 50.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.812 2.045 . . . . 0.0 109.949 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -137.01 136.2 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 120.113 1.324 . . . . 0.0 113.451 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.79 -148.47 5.48 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 127.673 2.559 . . . . 0.0 111.166 168.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.0 m -139.0 168.72 19.2 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.812 1.245 . . . . 0.0 113.799 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -130.05 156.18 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.287 1.435 . . . . 0.0 110.341 159.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.1 m -116.91 141.11 48.66 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.489 1.515 . . . . 0.0 110.055 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.51 165.56 11.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.113 1.365 . . . . 0.0 113.496 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.1 p -66.23 -14.43 61.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -93.11 1.02 57.39 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.59 1.556 . . . . 0.0 114.933 170.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.9 -0.86 86.63 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 117.835 -1.536 . . . . 0.0 115.495 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 55.7 p -74.77 159.91 31.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 119.835 1.817 . . . . 0.0 112.244 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 48.9 p -124.31 155.55 38.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.813 1.245 . . . . 0.0 111.965 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.86 164.72 32.8 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.996 0.919 . . . . 0.0 111.54 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -71.68 148.95 45.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.097 0.959 . . . . 0.0 112.982 -173.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.4 159.51 43.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.137 0.975 . . . . 0.0 110.724 157.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.53 174.32 46.07 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 121.698 -0.626 . . . . 0.0 114.236 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.78 112.11 23.95 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.821 0.848 . . . . 0.0 111.923 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 67.8 tp -112.52 136.18 52.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.951 2.1 . . . . 0.0 112.024 -169.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.75 126.73 32.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.572 0.749 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt -116.35 150.5 37.6 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 127.889 2.476 . . . . 0.0 113.153 -169.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.1 155.94 19.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 169.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -109.45 149.91 28.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.554 1.542 . . . . 0.0 112.725 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.2 155.3 19.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.449 1.5 . . . . 0.0 110.132 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.73 -28.15 69.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 120.766 -1.209 . . . . 0.0 112.933 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 85.2 mt -137.62 -38.38 0.59 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -82.63 146.13 29.28 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 125.804 1.642 . . . . 0.0 113.637 -167.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 70.6 m 45.85 39.71 5.74 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -83.89 156.6 22.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.566 1.546 . . . . 0.0 113.447 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -80.25 -164.46 0.69 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.433 1.493 . . . . 0.0 112.529 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.52 134.84 49.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.939 -1.101 . . . . 0.0 110.412 168.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.252 1.205 0 C-N-CA 125.13 1.372 . . . . 0.0 111.206 179.314 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 9.4 Cg_exo . . . . . 0 N--CA 1.465 -0.153 0 N-CA-C 113.272 0.451 . . . . 0.0 113.272 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.98 132.64 47.67 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.97 150.12 50.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -115.24 133.08 56.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.953 2.101 . . . . 0.0 110.664 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -80.3 105.25 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.384 1.073 . . . . 0.0 110.318 169.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.75 -35.82 29.24 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -165.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -106.29 -2.18 22.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.954 1.301 . . . . 0.0 114.328 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.49 10.84 82.88 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 118.477 -1.18 . . . . 0.0 115.947 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -85.34 -4.4 59.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 120.367 2.083 . . . . 0.0 113.298 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.2 166.06 13.3 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 126.36 1.933 . . . . 0.0 114.396 173.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.35 124.01 33.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.61 146.97 36.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.354 1.462 . . . . 0.0 113.35 -163.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -127.35 162.59 25.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.272 1.429 . . . . 0.0 112.236 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.38 150.4 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 126.457 1.903 . . . . 0.0 110.621 173.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.71 -14.28 62.34 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -166.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 t -152.99 151.84 30.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.187 -0.946 . . . . 0.0 112.823 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -81.01 143.99 32.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 126.697 1.999 . . . . 0.0 110.572 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' HA3' ' CG ' ' A' ' 19' ' ' PHE . . . 66.24 -166.06 38.19 Favored Glycine 0 C--N 1.343 0.954 0 C-N-CA 124.914 1.245 . . . . 0.0 115.541 169.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CG ' ' HA3' ' A' ' 18' ' ' GLY . 60.0 m-85 -143.86 64.29 1.33 Allowed 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 129.711 3.205 . . . . 0.0 109.872 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -61.32 114.18 3.04 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.303 1.441 . . . . 0.0 112.524 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.16 -3.69 5.42 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 125.639 1.59 . . . . 0.0 116.11 -173.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -119.75 -3.22 10.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.73 1.612 . . . . 0.0 114.54 -166.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -56.75 125.35 21.95 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.675 1.59 . . . . 0.0 113.636 -169.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -101.7 145.46 29.08 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.732 1.613 . . . . 0.0 111.726 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.56 -5.21 59.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -166.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -133.67 165.22 25.44 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 126.396 1.878 . . . . 0.0 111.276 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -83.51 143.9 29.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.006 -1.059 . . . . 0.0 110.26 160.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -88.03 -14.12 39.82 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -174.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.49 68.72 1.43 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.095 1.758 . . . . 0.0 110.751 -165.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.88 -142.78 45.63 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.232 0.92 . . . . 0.0 112.471 -174.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.2 mm -111.45 134.04 55.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 125.322 1.449 . . . . 0.0 109.289 168.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -86.87 152.9 22.06 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.488 1.115 . . . . 0.0 113.381 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.0 p -110.76 2.36 18.35 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 126.707 2.003 . . . . 0.0 113.536 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.74 143.93 47.44 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.345 1.458 . . . . 0.0 111.642 167.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.6 m -130.5 -37.09 1.41 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.816 1.246 . . . . 0.0 112.399 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.62 162.52 54.32 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.32 0.962 . . . . 0.0 115.07 -173.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -138.66 171.45 14.34 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 125.287 1.435 . . . . 0.0 112.289 -170.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.8 137.35 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.535 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -59.67 146.46 41.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.853 0.861 . . . . 0.0 112.67 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.63 -18.23 62.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -78.12 -7.81 57.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.732 1.613 . . . . 0.0 113.568 173.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -113.95 159.18 20.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.053 1.741 . . . . 0.0 113.002 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.63 134.0 11.57 Favored Glycine 0 N--CA 1.446 -0.674 0 O-C-N 121.51 -0.743 . . . . 0.0 113.3 -172.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.8 mt -82.16 129.62 34.87 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 117.689 0.744 . . . . 0.0 108.997 167.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -77.53 126.1 30.36 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.331 0.652 . . . . 0.0 109.854 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.47 166.51 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 124.791 1.236 . . . . 0.0 112.403 -168.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -147.79 138.66 23.32 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.794 1.638 . . . . 0.0 110.89 169.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.59 119.22 24.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.444 0.565 . . . . 0.0 110.868 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.3 mt -94.41 -13.35 26.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.125 1.37 . . . . 0.0 114.548 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -128.42 10.8 6.26 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.4 9.25 85.95 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 116.399 1.319 . . . . 0.0 116.399 167.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -81.96 -2.22 50.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 119.423 1.611 . . . . 0.0 114.447 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.37 6.45 89.25 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.414 1.483 . . . . 0.0 116.084 175.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.0 pt -138.26 166.41 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 C-N-CA 125.848 1.659 . . . . 0.0 112.619 -174.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.8 mm -102.53 114.91 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 125.802 1.641 . . . . 0.0 109.842 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.11 3.89 1.06 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -138.48 138.1 37.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.704 2.001 . . . . 0.0 109.326 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.87 -18.84 19.42 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.36 -14.29 62.14 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -88.37 -17.15 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.857 1.663 . . . . 0.0 113.506 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.17 162.88 23.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.035 1.734 . . . . 0.0 109.694 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 40.0 m-85 -95.17 106.63 18.67 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.234 -1.541 . . . . 0.0 110.761 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.02 -155.23 13.71 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 125.511 1.529 . . . . 0.0 113.085 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -69.4 -10.83 59.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -167.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -75.16 -21.78 58.55 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 120.459 -1.401 . . . . 0.0 112.948 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -74.42 136.43 42.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.316 0.962 . . . . 0.0 112.29 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -98.79 137.03 37.97 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.553 1.541 . . . . 0.0 110.913 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.0 mt -90.98 158.33 16.77 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 127.033 2.133 . . . . 0.0 110.75 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.01 -10.99 55.62 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -88.48 1.92 53.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.859 1.664 . . . . 0.0 113.343 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.08 -8.83 78.94 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.132 1.349 . . . . 0.0 115.575 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -74.65 159.07 32.57 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 118.906 1.353 . . . . 0.0 112.027 172.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.07 154.22 20.36 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 120.731 -1.231 . . . . 0.0 110.728 163.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.71 138.94 55.33 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.023 0.529 . . . . 0.0 111.979 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -80.09 -29.59 39.08 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.978 0.911 . . . . 0.0 112.94 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.31 168.55 25.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.432 1.893 . . . . 0.0 112.038 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.92 -27.4 68.59 Favored Glycine 0 C--N 1.338 0.642 0 C-N-CA 123.843 0.735 . . . . 0.0 114.22 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -69.65 -42.5 74.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.605 1.203 . . . . 0.0 112.514 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.26 80.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.484 1.038 . . . . 0.0 112.587 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.28 96.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.666 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.04 -35.43 56.87 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.182 -0.949 . . . . 0.0 113.216 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.26 -16.03 61.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -62.85 -24.5 67.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 121.134 -0.979 . . . . 0.0 113.455 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.5 mt -93.32 -9.42 38.93 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -166.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.28 119.53 11.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 118.509 0.595 . . . . 0.0 109.529 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -93.62 -27.65 16.47 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -109.62 -12.13 14.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.82 46.79 9.2 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-N 119.276 0.944 . . . . 0.0 114.141 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -104.55 2.88 31.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.612 1.565 . . . . 0.0 112.788 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t30 62.02 25.84 15.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.886 2.074 . . . . 0.0 114.307 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.3 pt -132.24 153.44 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.9 mm -100.27 117.54 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 166.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -144.67 172.73 12.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.556 1.542 . . . . 0.0 111.208 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.57 -15.35 26.86 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.51 -12.99 59.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -85.3 133.52 34.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 120.272 -1.518 . . . . 0.0 111.424 164.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.26 68.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.732 -1.23 . . . . 0.0 113.913 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.95 -23.23 67.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.18 -29.48 68.72 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 120.362 1.437 . . . . 0.0 113.529 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.36 -17.52 48.78 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.502 1.121 . . . . 0.0 113.915 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -95.48 -27.33 15.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.601 1.56 . . . . 0.0 113.441 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.86 142.38 58.28 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.513 1.125 . . . . 0.0 111.529 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -138.96 164.55 29.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.597 1.959 . . . . 0.0 109.985 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.92 129.9 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.84 1.256 . . . . 0.0 108.625 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -118.69 134.09 55.38 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.427 1.091 . . . . 0.0 112.847 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -121.86 114.82 21.58 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.327 1.851 . . . . 0.0 110.52 174.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -78.51 75.5 5.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.767 -1.208 . . . . 0.0 111.807 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.1 -44.49 67.66 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.127 1.371 . . . . 0.0 114.04 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -89.4 -7.95 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.981 1.312 . . . . 0.0 114.43 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 55.57 56.72 5.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.577 1.551 . . . . 0.0 112.85 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 p30 -94.79 -9.17 35.35 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 120.009 -1.682 . . . . 0.0 113.301 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.68 2.19 90.61 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.652 1.12 . . . . 0.0 114.26 -173.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.02 145.01 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 126.695 1.998 . . . . 0.0 109.996 -169.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 134.84 37.22 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.296 1.038 . . . . 0.0 111.272 174.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -130.35 145.14 51.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.703 1.601 . . . . 0.0 108.341 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.71 -27.52 67.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -166.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -67.47 -17.65 64.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -89.84 -7.95 53.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.867 1.667 . . . . 0.0 114.327 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -87.13 152.66 22.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.028 0.931 . . . . 0.0 110.389 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -136.01 148.03 48.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.257 2.223 . . . . 0.0 110.944 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.7 p -68.52 161.12 28.53 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.699 1.2 . . . . 0.0 111.054 164.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.36 -38.57 84.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.764 -0.585 . . . . 0.0 110.495 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -63.27 -42.44 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.251 1.42 . . . . 0.0 112.859 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.94 -14.37 60.63 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.0 6.58 45.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.496 1.519 . . . . 0.0 112.643 168.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.02 15.8 76.48 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 124.271 0.938 . . . . 0.0 115.264 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.6 mt -78.69 132.61 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 118.687 1.243 . . . . 0.0 109.304 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -99.22 -41.42 7.49 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.561 1.544 . . . . 0.0 111.474 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 99.8 p -158.34 161.12 37.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.533 1.133 . . . . 0.0 112.857 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.5 mt -110.91 139.19 46.44 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 126.344 1.858 . . . . 0.0 109.1 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -89.38 136.98 32.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.528 0.731 . . . . 0.0 111.38 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.08 -8.2 46.51 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.62 137.52 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 111.287 168.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -147.02 168.8 20.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.35 1.06 . . . . 0.0 112.127 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -121.14 132.93 55.14 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.924 2.09 . . . . 0.0 109.766 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -69.23 130.44 42.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 122.729 0.412 . . . . 0.0 110.963 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m -137.54 -34.42 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.35 44.16 12.39 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 114.426 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -73.81 118.36 16.68 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.732 1.213 . . . . 0.0 111.614 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.45 120.42 20.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.414 1.086 . . . . 0.0 112.476 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.4 -1.57 21.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -171.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 83.69 168.04 42.95 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 125.121 1.343 . . . . 0.0 114.5 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 49.02 31.17 3.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 127.226 2.211 . . . . 0.0 114.286 -176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.03 16.12 80.9 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 125.796 1.665 . . . . 0.0 115.929 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -99.0 147.24 25.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.47 1.635 . . . . 0.0 112.119 170.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -142.94 139.95 30.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.202 1.401 . . . . 0.0 109.324 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.0 101.45 12.93 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.12 0.968 . . . . 0.0 108.611 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.08 -54.09 6.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.591 0.756 . . . . 0.0 113.017 -170.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -127.46 138.85 53.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 108.504 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.39 138.18 52.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.875 1.27 . . . . 0.0 111.499 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -151.42 -155.41 6.96 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 125.739 1.638 . . . . 0.0 111.778 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.8 p -134.99 165.86 24.37 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -135.38 156.82 48.3 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.609 1.964 . . . . 0.0 110.345 165.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.7 m -114.67 133.83 55.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.824 0.85 . . . . 0.0 109.838 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.75 154.5 17.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 125.494 1.518 . . . . 0.0 111.624 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -66.08 -22.43 66.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.473 -1.392 . . . . 0.0 113.482 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -77.36 2.04 17.12 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.44 85.05 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 116.738 1.455 . . . . 0.0 116.738 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 59.6 m -70.42 143.38 51.85 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.725 1.262 . . . . 0.0 111.498 172.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 7.4 m -105.46 135.69 46.39 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.911 1.285 . . . . 0.0 108.98 168.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -137.22 162.65 32.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.49 1.516 . . . . 0.0 111.495 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -97.43 144.7 26.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.696 1.198 . . . . 0.0 113.854 -165.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.2 ptm -150.07 167.54 26.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.676 1.191 . . . . 0.0 111.949 172.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.36 -179.1 47.59 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.048 -1.033 . . . . 0.0 114.623 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -92.27 104.77 17.09 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.596 1.158 . . . . 0.0 110.331 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.96 121.33 32.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.904 1.282 . . . . 0.0 110.605 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.01 121.17 23.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.939 0.496 . . . . 0.0 112.132 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 81.6 mt -116.12 152.3 33.93 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 127.995 2.518 . . . . 0.0 112.169 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.61 133.21 47.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.748 0.819 . . . . 0.0 112.041 165.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -84.76 160.53 20.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.854 1.262 . . . . 0.0 112.26 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -100.5 161.82 13.35 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.919 1.288 . . . . 0.0 111.127 169.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -112.44 80.12 1.3 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.872 1.269 . . . . 0.0 110.924 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.3 mt -142.3 -18.67 0.71 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.818 1.647 . . . . 0.0 114.298 -168.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -139.37 152.11 46.87 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.787 1.635 . . . . 0.0 112.106 -167.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 41.8 m -115.31 146.63 41.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 124.206 1.002 . . . . 0.0 112.992 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -62.48 152.59 34.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.592 1.557 . . . . 0.0 111.405 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -82.6 130.1 35.06 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.413 -0.804 . . . . 0.0 112.483 -175.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 65.2 mt 50.09 69.61 0.59 Allowed 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.622 1.969 . . . . 0.0 113.978 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 . . . . . 0 C--O 1.244 0.786 0 C-N-CA 126.492 1.917 . . . . 0.0 112.467 174.11 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 28.7 Cg_exo . . . . . 0 C--O 1.237 0.458 0 CA-C-O 119.106 -0.456 . . . . 0.0 112.762 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.1 128.21 35.34 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 118.877 0.762 . . . . 0.0 112.137 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.73 151.38 48.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.752 2.021 . . . . 0.0 112.025 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -121.77 140.38 52.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.726 2.01 . . . . 0.0 110.69 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -82.07 103.25 11.56 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 111.341 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt -91.94 -18.81 23.18 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -109.96 -2.05 17.35 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 120.932 1.697 . . . . 0.0 114.606 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.46 24.01 25.01 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 164.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -128.05 19.64 6.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.746 1.619 . . . . 0.0 114.033 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.81 156.41 32.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 125.551 1.548 . . . . 0.0 114.87 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.3 134.74 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 121.32 -1.106 . . . . 0.0 111.171 -172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -125.23 153.38 43.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.68 1.592 . . . . 0.0 114.283 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -131.88 163.69 27.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.962 1.305 . . . . 0.0 113.21 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -143.09 171.83 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 128.072 2.549 . . . . 0.0 110.887 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.01 139.17 31.01 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.063 0.945 . . . . 0.0 112.677 162.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 111' ' ' ASP . 16.9 m -75.56 118.91 18.92 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 125.436 1.494 . . . . 0.0 109.806 166.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -68.31 145.96 53.73 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.38 -0.825 . . . . 0.0 111.631 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.41 -6.87 42.17 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 118.128 -1.374 . . . . 0.0 115.312 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 51.37 30.71 6.35 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.773 2.029 . . . . 0.0 116.172 170.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -82.1 -2.45 52.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.386 -1.446 . . . . 0.0 114.898 -172.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.89 162.05 5.4 Favored Glycine 0 C--N 1.34 0.75 0 C-N-CA 124.263 0.935 . . . . 0.0 114.243 -170.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.8 p -67.34 174.19 3.47 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 124.944 1.297 . . . . 0.0 112.992 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.6 -12.45 53.31 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.92 1.288 . . . . 0.0 114.218 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -113.24 -4.81 13.67 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 125.506 1.522 . . . . 0.0 114.115 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -85.8 97.36 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.045 1.738 . . . . 0.0 110.4 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -112.13 -8.21 14.02 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -170.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -82.77 66.21 8.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.161 0.984 . . . . 0.0 110.593 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.1 mtm105 -133.86 165.19 25.57 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.121 1.768 . . . . 0.0 113.089 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -133.75 64.26 1.61 Allowed 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 127.15 2.18 . . . . 0.0 108.964 172.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.25 -142.33 16.36 Favored Glycine 0 C--O 1.221 -0.715 0 C-N-CA 125.832 1.682 . . . . 0.0 112.287 -166.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.0 pt -77.58 171.37 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-O 121.925 0.869 . . . . 0.0 112.457 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -101.09 179.03 4.49 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.484 1.913 . . . . 0.0 111.099 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 p -93.62 -19.09 21.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 126.666 1.986 . . . . 0.0 113.228 166.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.62 147.56 23.34 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.177 1.791 . . . . 0.0 111.201 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.2 m -159.04 119.45 3.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.411 1.885 . . . . 0.0 109.826 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.05 148.67 18.97 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 124.8 1.19 . . . . 0.0 114.929 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -144.73 169.81 17.3 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 125.404 1.482 . . . . 0.0 112.829 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.77 135.95 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 124.934 1.294 . . . . 0.0 110.864 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -59.92 145.85 44.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.142 -0.973 . . . . 0.0 112.78 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.75 -17.04 62.63 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -77.19 -11.77 59.86 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 119.972 1.26 . . . . 0.0 113.693 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -118.46 -172.69 2.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.956 3.302 . . . . 0.0 111.889 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.77 165.45 37.53 Favored Glycine 0 N--CA 1.448 -0.522 0 O-C-N 120.576 -1.327 . . . . 0.0 116.066 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.9 mt -100.66 132.34 46.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.106 2.162 . . . . 0.0 112.258 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -76.32 130.43 38.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 119.737 1.153 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.61 167.68 4.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 125.149 1.379 . . . . 0.0 112.524 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -147.62 130.62 16.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 109.616 166.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -74.03 124.2 25.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.897 0.879 . . . . 0.0 110.674 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.09 -0.8 43.77 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.441 1.496 . . . . 0.0 114.524 -175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -138.78 3.31 2.25 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.37 12.85 83.88 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 120.625 -1.297 . . . . 0.0 115.909 167.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -75.81 -9.47 58.62 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 119.363 1.581 . . . . 0.0 114.026 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.07 5.68 82.9 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 126.313 1.911 . . . . 0.0 114.801 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -124.05 149.83 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 127.495 2.318 . . . . 0.0 109.97 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.61 106.19 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.355 . . . . 0.0 108.896 168.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -137.12 0.92 2.4 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -165.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -133.91 145.98 50.11 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.828 1.651 . . . . 0.0 109.646 169.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.99 -27.67 65.05 Favored Glycine 0 N--CA 1.447 -0.614 0 O-C-N 120.927 -1.108 . . . . 0.0 114.245 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -16.12 44.37 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.39 -15.25 43.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.908 1.283 . . . . 0.0 113.176 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.31 143.26 28.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.646 1.578 . . . . 0.0 110.276 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 89.6 m-85 -80.67 105.45 11.92 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.009 -1.057 . . . . 0.0 110.164 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.66 178.2 31.55 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.808 1.194 . . . . 0.0 114.415 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.44 150.0 44.69 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 121.378 -1.072 . . . . 0.0 111.985 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.58 16.75 6.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.557 2.343 . . . . 0.0 115.146 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -67.76 125.39 26.08 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.736 -1.227 . . . . 0.0 109.386 168.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -84.86 133.73 34.3 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 124.212 1.005 . . . . 0.0 111.72 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -105.95 166.02 10.78 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 127.087 2.155 . . . . 0.0 111.708 -165.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.32 -18.81 64.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -93.9 7.38 45.22 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.953 1.301 . . . . 0.0 113.633 172.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.46 -7.44 78.94 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 126.596 2.046 . . . . 0.0 115.763 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.6 m -72.29 163.89 27.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 118.678 1.239 . . . . 0.0 112.832 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -113.83 136.72 52.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.82 131.7 42.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 113.283 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -64.23 -30.3 71.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 174.97 12.44 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 127.493 2.317 . . . . 0.0 110.777 177.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.21 -32.04 75.25 Favored Glycine 0 C--N 1.341 0.82 0 O-C-N 121.209 -0.932 . . . . 0.0 115.377 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.498 1.149 . . . . 0.0 112.136 173.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 -31.25 71.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.887 0.767 . . . . 0.0 112.666 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.22 89.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.729 0.695 . . . . 0.0 111.85 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 tp -74.01 -33.73 63.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.038 0.935 . . . . 0.0 112.924 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.74 -16.7 63.34 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.393 1.477 . . . . 0.0 114.972 -173.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.75 -13.93 60.31 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.73 1.212 . . . . 0.0 114.183 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.16 -2.89 54.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -71.33 117.67 13.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 118.786 0.721 . . . . 0.0 109.674 170.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -90.83 -27.62 18.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -168.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -110.97 -16.47 13.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.041 1.736 . . . . 0.0 113.813 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.07 74.77 0.95 Allowed Glycine 0 C--N 1.334 0.429 0 C-N-CA 123.908 0.766 . . . . 0.0 112.714 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -135.49 8.41 3.36 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.025 1.33 . . . . 0.0 114.366 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 70.54 6.73 5.94 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 127.394 2.278 . . . . 0.0 115.821 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.9 pt -129.82 147.49 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 122.838 1.304 . . . . 0.0 112.978 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -97.3 114.85 35.46 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 167.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -144.86 169.1 18.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 111.642 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.56 -20.45 55.77 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -171.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.62 61.35 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 172.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -75.41 131.72 40.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 120.078 1.308 . . . . 0.0 111.963 172.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.6 66.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.96 -18.91 49.21 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.36 -40.97 88.16 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.384 -1.448 . . . . 0.0 113.809 -169.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -68.09 -15.22 63.5 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -92.82 -9.52 40.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.002 1.721 . . . . 0.0 114.379 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.99 147.32 51.79 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.729 1.15 . . . . 0.0 111.073 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -141.99 165.37 27.65 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.428 1.891 . . . . 0.0 110.375 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 51.6 t -121.94 121.77 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.934 0.893 . . . . 0.0 109.697 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -91.4 122.0 33.62 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.675 1.19 . . . . 0.0 111.14 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -118.38 99.76 7.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.095 1.358 . . . . 0.0 109.755 171.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.57 105.46 10.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.589 -0.694 . . . . 0.0 111.342 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.92 -29.76 67.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.568 0.747 . . . . 0.0 112.995 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -79.55 -8.32 59.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.286 1.034 . . . . 0.0 112.246 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 57.08 27.01 12.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.131 2.172 . . . . 0.0 113.267 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' HG23 ' A' ' 16' ' ' THR . 58.3 p30 -104.58 -15.87 15.19 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -169.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.03 17.5 77.17 Favored Glycine 0 C--O 1.219 -0.783 0 CA-C-N 118.889 0.768 . . . . 0.0 113.681 -174.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.5 mm -97.38 104.23 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 170.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.2 t -70.13 133.92 47.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -171.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -123.61 152.43 41.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.962 1.305 . . . . 0.0 110.391 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -21.06 66.44 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -71.79 -24.18 61.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.478 1.111 . . . . 0.0 113.879 172.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -81.58 -5.64 58.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -171.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.09 123.9 36.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.521 1.128 . . . . 0.0 110.876 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -96.19 150.47 20.49 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.647 1.979 . . . . 0.0 110.799 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.6 p -72.62 159.08 34.45 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 123.173 0.589 . . . . 0.0 111.648 161.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.286 0.634 . . . . 0.0 110.683 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.75 -43.88 97.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.378 1.071 . . . . 0.0 112.472 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.16 -13.48 60.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.78 0.09 56.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.062 1.345 . . . . 0.0 113.095 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.34 24.49 76.66 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 125.143 1.354 . . . . 0.0 114.385 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.3 mt -83.3 124.23 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 124.39 1.076 . . . . 0.0 108.702 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -100.86 -41.98 6.63 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.25 1.02 . . . . 0.0 112.345 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.9 p -156.28 161.94 40.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.242 1.017 . . . . 0.0 112.517 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.2 mp -126.78 132.97 50.93 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.96 144.95 45.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 119.356 0.98 . . . . 0.0 112.558 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.4 mt -90.09 9.45 28.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.567 1.147 . . . . 0.0 113.625 163.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -99.88 132.62 45.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.963 2.505 . . . . 0.0 112.219 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -153.24 163.25 40.22 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.962 1.305 . . . . 0.0 112.973 -171.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -135.32 142.43 45.81 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.764 1.626 . . . . 0.0 111.578 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.1 133.31 46.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.747 1.619 . . . . 0.0 111.794 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.13 -21.37 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 125.414 1.486 . . . . 0.0 114.08 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 46.67 40.41 8.55 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 126.068 1.747 . . . . 0.0 114.646 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.81 122.09 32.56 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.537 1.535 . . . . 0.0 112.021 -162.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -72.1 128.65 36.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 122.557 0.343 . . . . 0.0 111.365 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.08 1.43 24.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 88.5 169.59 45.04 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 126.016 1.769 . . . . 0.0 113.953 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 48.19 34.19 4.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.574 1.95 . . . . 0.0 113.857 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.32 6.88 88.8 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 125.516 1.532 . . . . 0.0 116.407 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -96.94 145.27 26.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.324 1.562 . . . . 0.0 112.407 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.1 m -136.87 129.52 30.37 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.861 0.864 . . . . 0.0 112.874 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.6 tt -81.59 112.46 18.82 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.08 0.952 . . . . 0.0 108.757 167.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.33 -59.71 2.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.423 -0.798 . . . . 0.0 112.502 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.96 142.6 47.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.01 1.324 . . . . 0.0 112.864 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -122.1 144.33 48.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.57 1.948 . . . . 0.0 112.268 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.6 -146.6 4.64 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 128.552 2.977 . . . . 0.0 111.119 170.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.3 m -145.24 164.81 30.23 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -121.9 152.76 39.28 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.192 1.797 . . . . 0.0 110.957 163.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.3 m -106.95 135.19 48.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.276 1.83 . . . . 0.0 110.499 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -103.25 159.67 15.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.594 1.558 . . . . 0.0 114.542 -173.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 44.1 p -63.96 -24.29 67.67 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.725 1.61 . . . . 0.0 114.074 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -79.86 2.99 21.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.071 1.748 . . . . 0.0 114.924 172.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.56 8.21 86.43 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 125.485 1.517 . . . . 0.0 116.153 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.1 p -98.95 172.75 7.22 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.205 1.503 . . . . 0.0 112.781 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.8 p -114.76 157.83 22.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.814 1.646 . . . . 0.0 111.521 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.27 157.76 43.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.995 1.318 . . . . 0.0 111.304 168.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -78.91 147.67 32.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -171.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -149.89 162.59 40.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.72 1.608 . . . . 0.0 110.474 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.84 173.58 46.14 Favored Glycine 0 N--CA 1.444 -0.825 0 O-C-N 121.362 -0.836 . . . . 0.0 114.798 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -82.09 119.83 24.53 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 117.964 0.882 . . . . 0.0 110.264 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 20.1 tp -117.29 117.69 30.23 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.777 1.631 . . . . 0.0 110.397 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 37.3 mt -78.64 116.1 18.78 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.736 1.614 . . . . 0.0 108.745 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.9 mt -92.4 132.48 36.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.533 1.133 . . . . 0.0 110.829 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -80.0 147.91 31.35 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -165.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -148.88 153.12 37.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.091 1.756 . . . . 0.0 110.079 168.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -70.12 151.59 45.28 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 121.103 -0.998 . . . . 0.0 112.973 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 59.91 -28.52 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.313 2.645 . . . . 0.0 116.01 -171.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.57 114.97 5.93 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.188 1.795 . . . . 0.0 111.91 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -79.19 150.05 31.77 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.446 1.098 . . . . 0.0 111.369 170.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 87.7 p -142.38 165.56 27.08 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.453 1.501 . . . . 0.0 113.235 -171.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -77.61 50.32 0.81 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 126.262 1.825 . . . . 0.0 114.619 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -96.09 -17.9 20.56 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 91.9 mt -83.54 147.0 28.03 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.994 1.318 . . . . 0.0 112.381 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.567 1.547 . . . . 0.0 113.787 -179.448 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.466 -0.141 0 N-CA-C 113.016 0.352 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.15 126.78 28.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.93 153.77 39.26 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.1 2.56 . . . . 0.0 111.768 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -133.71 140.99 47.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.322 1.449 . . . . 0.0 111.511 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.96 127.14 36.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.899 1.679 . . . . 0.0 110.891 167.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.94 -29.62 18.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -104.06 -5.09 22.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.31 12.8 66.91 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.91 1.232 . . . . 0.0 115.038 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -115.65 2.55 13.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.778 2.031 . . . . 0.0 114.268 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.2 160.54 27.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 126.466 1.984 . . . . 0.0 115.453 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -84.02 132.25 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 124.925 1.29 . . . . 0.0 110.765 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.45 169.56 11.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 126.966 2.106 . . . . 0.0 112.273 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -130.75 165.82 22.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -114.24 158.18 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 125.484 1.514 . . . . 0.0 111.91 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.58 136.25 51.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.962 0.905 . . . . 0.0 111.475 172.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 p -136.18 -20.65 1.43 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -174.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -69.37 152.19 45.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.58 -127.7 0.23 Allowed Glycine 0 CA--C 1.523 0.57 0 C-N-CA 125.597 1.57 . . . . 0.0 111.123 163.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -69.63 151.13 46.28 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.4 p -70.52 -14.59 62.58 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.501 1.92 . . . . 0.0 115.41 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.75 176.1 47.5 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 125.085 1.326 . . . . 0.0 113.782 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -127.36 158.49 37.12 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.116 1.366 . . . . 0.0 111.375 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 99.2 mt -127.32 -20.27 4.1 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.756 1.623 . . . . 0.0 113.493 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -132.9 146.2 51.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.472 1.909 . . . . 0.0 108.919 171.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -90.37 118.82 30.16 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.214 0.461 . . . . 0.0 110.229 162.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -161.4 160.15 29.09 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -74.86 5.38 5.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.672 1.589 . . . . 0.0 113.09 169.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 61.33 23.97 14.14 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.352 2.261 . . . . 0.0 115.684 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -109.62 -16.31 13.97 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.31 -27.78 67.33 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 124.456 1.027 . . . . 0.0 114.557 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.7 tt -149.43 141.15 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 126.48 1.912 . . . . 0.0 109.552 168.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -71.62 140.09 49.6 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 121.101 -1.0 . . . . 0.0 112.795 -175.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.3 p -125.81 -175.14 3.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 128.268 2.627 . . . . 0.0 109.781 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.85 130.01 41.11 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 120.116 1.325 . . . . 0.0 111.921 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.3 p -112.49 148.34 34.63 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.899 1.28 . . . . 0.0 113.209 -166.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.45 151.11 48.97 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.715 1.15 . . . . 0.0 115.526 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -149.33 162.32 40.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.0 m -91.73 155.39 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.988 2.915 . . . . 0.0 113.326 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.42 156.68 1.69 Allowed 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 120.513 -1.367 . . . . 0.0 113.291 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -19.94 58.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -91.87 -7.12 50.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.851 1.66 . . . . 0.0 113.71 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -116.97 176.69 5.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 127.18 2.192 . . . . 0.0 110.658 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.31 170.98 35.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 120.481 -1.387 . . . . 0.0 115.658 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.05 150.05 26.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 112.28 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -77.9 129.12 34.97 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 110.493 168.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.4 172.07 9.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.34 1.056 . . . . 0.0 112.256 -174.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -150.02 145.7 26.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.455 1.502 . . . . 0.0 110.964 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -96.04 120.23 35.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.745 0.702 . . . . 0.0 109.862 168.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.4 -4.24 42.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.361 1.464 . . . . 0.0 114.556 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -138.84 11.57 2.67 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.44 21.0 72.15 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 115.965 1.146 . . . . 0.0 115.965 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -88.7 -2.48 58.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.837 1.318 . . . . 0.0 114.555 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.7 0.33 89.2 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 126.603 2.049 . . . . 0.0 115.936 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.0 pt -137.02 167.23 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 125.726 1.611 . . . . 0.0 112.887 -173.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 36.2 mm -93.81 123.48 45.93 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 C-N-CA 126.057 1.743 . . . . 0.0 108.864 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.32 -20.07 0.15 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -103.24 147.4 27.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.85 1.204 . . . . 0.0 112.371 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.29 -20.67 51.46 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 124.949 1.261 . . . . 0.0 115.965 -174.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.48 1.83 54.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.012 1.406 . . . . 0.0 114.364 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.15 -13.53 38.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -170.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.4 mt -98.82 156.59 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.952 1.701 . . . . 0.0 110.44 162.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 72.2 m-85 -101.77 106.68 17.71 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.077 0.951 . . . . 0.0 110.605 176.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 -175.14 28.28 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.302 0.501 . . . . 0.0 114.332 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.74 158.3 13.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.311 -0.523 . . . . 0.0 111.423 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 61.53 4.11 0.94 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.568 1.947 . . . . 0.0 115.712 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -67.11 128.78 37.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.304 -1.497 . . . . 0.0 110.595 170.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -77.64 138.21 38.98 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.222 0.609 . . . . 0.0 111.69 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.2 mt -107.14 167.61 9.79 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 127.326 2.25 . . . . 0.0 111.431 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.66 -31.73 71.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -167.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -79.14 -1.28 35.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 114.038 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 7.43 84.13 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 124.279 0.942 . . . . 0.0 115.189 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -79.53 169.54 17.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 118.823 1.311 . . . . 0.0 112.215 166.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -125.0 140.1 53.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.809 1.244 . . . . 0.0 110.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.94 138.3 47.98 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.37 1.068 . . . . 0.0 113.453 -174.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -78.91 -25.49 43.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.14 1.376 . . . . 0.0 114.315 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -159.88 170.79 20.67 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.882 2.073 . . . . 0.0 110.986 173.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.86 -30.16 74.41 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.6 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -66.7 -40.89 88.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.854 1.327 . . . . 0.0 112.06 173.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.73 -26.26 66.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.01 0.823 . . . . 0.0 113.16 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.43 67.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 tp -80.41 -34.93 35.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.236 1.014 . . . . 0.0 113.262 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -14.85 61.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -62.21 -25.41 67.78 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.088 0.955 . . . . 0.0 113.27 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt -88.24 -3.73 58.82 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -72.87 125.55 27.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.209 0.913 . . . . 0.0 110.858 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.0 m -90.33 -34.81 15.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -110.43 -1.87 16.86 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.338 1.455 . . . . 0.0 114.746 -171.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.02 33.56 45.08 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 120.028 1.286 . . . . 0.0 115.115 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -95.08 -5.38 44.41 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.905 1.353 . . . . 0.0 113.303 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.6 t30 63.88 31.71 13.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.127 2.171 . . . . 0.0 114.366 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.93 153.8 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 125.476 1.51 . . . . 0.0 111.308 164.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.07 115.15 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 124.846 1.258 . . . . 0.0 108.804 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.24 170.55 18.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 111.674 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.65 60.39 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -165.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.19 60.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.571 -1.331 . . . . 0.0 113.94 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.21 135.36 44.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.264 1.026 . . . . 0.0 111.566 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.42 67.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -165.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.73 -15.65 47.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.12 -40.27 73.48 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -161.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.62 -10.12 59.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 119.637 1.108 . . . . 0.0 113.978 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.8 m -78.97 -23.82 44.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.718 1.607 . . . . 0.0 112.718 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 154.62 40.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.94 1.696 . . . . 0.0 112.264 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.1 mmt-85 -142.23 168.49 19.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.887 2.075 . . . . 0.0 111.022 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.46 143.09 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.889 1.676 . . . . 0.0 108.916 166.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -119.99 129.85 54.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.342 1.057 . . . . 0.0 110.85 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.71 129.04 50.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.283 1.433 . . . . 0.0 107.923 166.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.61 87.17 6.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.159 0.891 . . . . 0.0 110.336 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.44 -17.54 63.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -162.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -111.74 -4.18 14.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.898 1.679 . . . . 0.0 114.311 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 51.27 49.74 20.43 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 114.125 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -85.26 -19.0 32.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.169 -0.957 . . . . 0.0 112.453 173.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.58 16.55 58.39 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.869 1.224 . . . . 0.0 114.118 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.3 mt -137.8 141.92 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 126.902 2.081 . . . . 0.0 109.011 -170.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.9 p -92.54 148.52 22.02 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.875 -1.141 . . . . 0.0 112.868 171.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -135.13 159.51 41.31 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.944 1.298 . . . . 0.0 110.614 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.83 -31.79 66.98 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -167.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -83.85 -20.17 33.6 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.516 1.053 . . . . 0.0 113.173 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -14.54 58.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.275 1.43 . . . . 0.0 113.693 -169.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.3 mt -83.85 132.7 34.78 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.051 -1.031 . . . . 0.0 110.932 170.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -114.98 150.18 36.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.425 1.89 . . . . 0.0 112.032 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 46.4 p -78.22 161.67 27.13 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.862 1.265 . . . . 0.0 112.294 168.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.96 -42.84 84.53 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.789 -0.569 . . . . 0.0 111.139 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.35 -36.79 77.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.27 -21.81 62.93 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.0 mt -90.59 1.65 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.919 1.688 . . . . 0.0 113.317 170.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.83 24.83 73.32 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 124.739 1.162 . . . . 0.0 115.306 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.0 mt -85.65 128.17 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 118.853 1.327 . . . . 0.0 108.883 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -102.04 -42.09 6.21 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.667 1.587 . . . . 0.0 112.559 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.6 p -158.6 156.45 30.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.306 0.957 . . . . 0.0 112.708 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 mt -107.65 135.87 48.36 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.669 1.188 . . . . 0.0 109.562 174.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -86.23 130.92 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.567 0.747 . . . . 0.0 110.918 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -87.14 -6.24 58.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -88.92 151.54 22.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.748 1.219 . . . . 0.0 112.506 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -155.59 168.74 26.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 125.179 1.391 . . . . 0.0 113.175 -171.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -133.11 141.28 48.08 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.84 1.656 . . . . 0.0 110.671 166.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.89 138.18 52.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.287 1.035 . . . . 0.0 111.339 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.46 -23.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 126.839 2.056 . . . . 0.0 114.074 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.5 m120 47.71 36.1 5.28 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 127.457 2.303 . . . . 0.0 114.925 174.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -91.72 134.1 35.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.119 1.767 . . . . 0.0 111.801 -163.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.06 129.17 39.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.653 -0.654 . . . . 0.0 110.609 171.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.74 14.21 31.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 173.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.92 170.31 42.84 Favored Glycine 0 C--N 1.339 0.747 0 C-N-CA 124.687 1.137 . . . . 0.0 114.035 -170.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 52.48 24.74 3.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.871 1.668 . . . . 0.0 115.347 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.98 76.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 125.515 1.531 . . . . 0.0 116.031 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -99.05 144.39 28.25 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 119.121 1.46 . . . . 0.0 112.532 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.1 m -127.97 117.55 21.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.328 1.051 . . . . 0.0 112.227 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.23 103.85 6.46 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.549 0.74 . . . . 0.0 109.092 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.26 -50.86 35.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 122.141 -0.349 . . . . 0.0 111.352 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -142.51 144.7 33.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.913 1.285 . . . . 0.0 111.538 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -127.24 147.02 50.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.582 1.553 . . . . 0.0 111.694 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.81 7.82 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 127.512 2.482 . . . . 0.0 110.444 172.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 89.6 p -124.48 168.26 13.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -134.54 160.49 37.89 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 124.873 1.269 . . . . 0.0 110.312 161.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.5 m -112.35 139.93 47.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 125.663 1.585 . . . . 0.0 111.449 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -102.0 163.49 12.22 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.218 1.807 . . . . 0.0 113.851 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.9 p -66.83 -12.34 58.71 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.652 1.981 . . . . 0.0 114.867 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -96.79 6.43 48.7 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.963 1.705 . . . . 0.0 114.302 167.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.71 -5.63 77.61 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 125.806 1.669 . . . . 0.0 115.725 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.8 p -80.4 173.8 12.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 120.067 1.933 . . . . 0.0 112.612 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 78.6 p -129.99 164.96 23.15 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.515 1.126 . . . . 0.0 112.403 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.66 170.9 18.07 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.725 1.61 . . . . 0.0 110.816 165.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -75.85 148.23 38.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.2 ptm -141.31 165.1 28.44 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.812 1.645 . . . . 0.0 109.761 162.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.28 171.31 44.31 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 120.913 -1.117 . . . . 0.0 114.358 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.49 111.03 20.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.428 0.633 . . . . 0.0 110.412 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 43.7 tp -104.52 111.09 23.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.893 1.677 . . . . 0.0 110.772 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.9 mt -77.21 122.08 24.55 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.551 1.54 . . . . 0.0 109.401 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt -87.52 147.25 25.44 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.262 1.025 . . . . 0.0 111.354 -167.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.65 158.69 23.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.711 1.205 . . . . 0.0 112.633 172.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -145.85 124.74 12.7 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.898 1.279 . . . . 0.0 111.864 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -80.03 170.71 16.08 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.067 1.747 . . . . 0.0 112.49 -176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ASN . . . . . 0.402 HD22 ' CE1' ' A' ' 174' ' ' HIS . 14.2 t30 -73.13 157.03 38.03 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.1 1.36 . . . . 0.0 113.172 171.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 34.9 tp -75.84 93.91 3.24 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.478 0.711 . . . . 0.0 110.545 165.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 172' ' ' ASN . 93.9 m-70 -85.82 -27.28 25.22 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.421 1.488 . . . . 0.0 113.223 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 61.1 m -81.39 158.52 24.61 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 126.39 1.876 . . . . 0.0 113.141 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -85.49 48.17 1.54 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.629 1.572 . . . . 0.0 113.27 -171.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -94.9 -13.04 25.79 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -172.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 86.3 mt -115.41 14.55 16.74 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.632 1.573 . . . . 0.0 112.229 169.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 126.676 1.99 . . . . 0.0 111.646 173.58 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.214 0 N-CA-C 113.008 0.349 . . . . 0.0 113.008 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -59.79 118.93 6.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.97 0.508 . . . . 0.0 111.641 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.37 147.77 31.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.938 2.095 . . . . 0.0 110.638 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.27 134.34 55.12 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.588 1.955 . . . . 0.0 109.335 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.72 107.32 7.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 109.112 163.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.01 -10.26 50.92 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.896 -0.503 . . . . 0.0 112.233 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.73 -19.23 20.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 29.81 27.77 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.52 1.057 . . . . 0.0 114.42 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -143.42 23.84 1.78 Allowed 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.443 1.497 . . . . 0.0 114.965 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.78 168.07 43.06 Favored Glycine 0 CA--C 1.526 0.72 0 O-C-N 120.643 -1.286 . . . . 0.0 114.502 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -82.19 135.46 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 124.885 1.274 . . . . 0.0 110.76 -171.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.93 163.52 32.67 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.903 1.281 . . . . 0.0 113.921 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 p -131.73 166.46 21.47 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.362 1.465 . . . . 0.0 113.157 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.34 159.49 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 126.082 1.753 . . . . 0.0 112.77 -178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.05 72.32 3.39 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 126.0 1.72 . . . . 0.0 113.08 -171.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.7 p -118.97 -8.83 10.17 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -162.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -105.34 160.01 15.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 119.624 1.102 . . . . 0.0 112.755 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.1 150.62 5.31 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 125.648 1.594 . . . . 0.0 112.98 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -79.55 132.2 36.23 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.38 2.272 . . . . 0.0 111.261 -6.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -104.88 -11.42 16.74 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -174.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.52 -160.93 31.47 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 124.587 1.089 . . . . 0.0 112.338 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m -64.48 173.41 2.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.881 1.672 . . . . 0.0 112.794 170.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.18 139.98 30.58 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 121.018 -1.051 . . . . 0.0 110.224 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -124.07 -11.59 7.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.486 1.515 . . . . 0.0 113.122 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.11 -179.1 4.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 128.762 2.825 . . . . 0.0 110.42 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -24.18 67.61 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -142.39 153.57 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 126.533 1.933 . . . . 0.0 112.097 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -57.05 -24.9 57.16 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.693 1.597 . . . . 0.0 114.956 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -88.66 -2.82 58.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.35 166.95 50.28 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 123.979 0.799 . . . . 0.0 115.026 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -64.25 -17.74 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -167.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -105.58 -22.45 12.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.15 1.38 . . . . 0.0 112.583 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -97.73 -28.74 13.75 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.827 1.651 . . . . 0.0 113.349 -174.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.98 141.96 58.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.13 -0.981 . . . . 0.0 111.89 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.5 p -137.65 156.27 48.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.583 1.953 . . . . 0.0 111.044 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.89 -170.47 41.89 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 120.855 -1.153 . . . . 0.0 115.324 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -109.9 173.52 6.29 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.936 1.694 . . . . 0.0 114.151 -162.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.2 136.63 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.289 1.436 . . . . 0.0 110.391 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 t -61.49 153.19 28.04 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.195 0.998 . . . . 0.0 113.101 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.77 -23.85 67.53 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -174.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.41 -9.66 59.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.848 1.259 . . . . 0.0 113.566 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -120.33 179.04 4.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 128.252 2.621 . . . . 0.0 111.691 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.69 178.46 33.99 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 120.554 -1.341 . . . . 0.0 115.795 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 mt -115.16 135.7 53.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.854 1.662 . . . . 0.0 110.994 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.2 tp -77.2 126.9 31.69 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.037 0.935 . . . . 0.0 110.483 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.66 162.09 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.294 1.038 . . . . 0.0 112.62 -169.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -148.29 118.94 7.48 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.445 1.498 . . . . 0.0 109.47 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -80.95 111.28 17.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.481 -0.762 . . . . 0.0 110.855 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.81 -6.92 44.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.364 1.466 . . . . 0.0 113.88 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -126.65 11.47 7.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.45 27.91 73.01 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 115.929 1.132 . . . . 0.0 115.929 162.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -96.94 -6.7 34.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.3 2.47 76.98 Favored Glycine 0 C--N 1.34 0.789 0 C-N-CA 126.011 1.767 . . . . 0.0 115.836 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 pt -136.74 165.22 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 125.87 1.668 . . . . 0.0 112.17 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.5 mm -105.42 106.87 21.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 C-N-CA 125.185 1.394 . . . . 0.0 109.787 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -148.7 12.82 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -166.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -128.13 138.13 52.39 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.614 1.166 . . . . 0.0 109.056 160.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.49 -14.15 40.8 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.464 -1.186 . . . . 0.0 116.051 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.46 50.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.515 1.658 . . . . 0.0 114.011 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -73.1 -22.02 60.64 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.515 1.526 . . . . 0.0 113.292 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.61 129.44 34.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.306 1.042 . . . . 0.0 108.878 162.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 69.6 m-85 -67.54 107.8 2.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.498 0.59 . . . . 0.0 110.116 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.67 -169.84 36.44 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 121.901 0.723 . . . . 0.0 113.145 -170.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -68.71 3.13 2.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -113.46 0.08 14.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.836 1.254 . . . . 0.0 113.635 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -80.18 141.69 35.43 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.184 1.394 . . . . 0.0 111.246 169.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -90.31 148.19 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.575 1.15 . . . . 0.0 112.54 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 179.77 5.45 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 127.865 2.466 . . . . 0.0 111.39 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -13.32 62.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -168.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -98.42 0.7 45.81 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.686 -1.259 . . . . 0.0 113.485 170.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.09 84.15 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 126.189 1.852 . . . . 0.0 115.391 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 m -71.81 146.89 47.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 120.193 1.996 . . . . 0.0 111.468 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.23 137.2 39.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 121.398 -0.814 . . . . 0.0 111.982 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.32 144.18 53.6 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.382 1.073 . . . . 0.0 112.972 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -71.81 -27.69 63.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.01 173.27 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.642 1.977 . . . . 0.0 111.232 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.13 73.78 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.699 1.142 . . . . 0.0 114.82 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.88 -33.02 71.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.405 1.103 . . . . 0.0 112.96 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -41.31 73.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.399 0.999 . . . . 0.0 110.814 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.95 82.71 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.015 0.926 . . . . 0.0 113.483 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.2 tp -79.47 -38.88 33.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.76 -21.74 66.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -175.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.16 -21.47 66.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.3 mt -87.85 -0.49 57.03 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -76.92 91.19 3.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.176 1.39 . . . . 0.0 111.375 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -64.38 -26.82 68.63 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -107.06 -16.67 14.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.376 1.47 . . . . 0.0 114.538 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.2 54.94 4.54 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-N 119.754 1.161 . . . . 0.0 113.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -110.22 -0.37 17.83 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.708 1.603 . . . . 0.0 113.215 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.253 2.2 t30 71.44 21.84 4.41 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.947 2.099 . . . . 0.0 114.781 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.81 154.74 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 125.326 1.451 . . . . 0.0 112.31 166.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.81 117.39 49.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 C-N-CA 125.073 1.349 . . . . 0.0 109.542 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -152.77 168.36 25.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.328 1.851 . . . . 0.0 112.665 -169.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.82 -14.47 15.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.99 -20.02 56.58 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -75.24 140.55 43.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.953 1.301 . . . . 0.0 112.796 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.58 -26.82 66.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -165.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.25 -15.38 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.062 1.345 . . . . 0.0 114.402 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.85 -38.03 69.53 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.612 1.551 . . . . 0.0 114.887 -164.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -73.22 -9.71 59.0 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.0 p -86.49 -8.13 57.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.56 142.91 42.65 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.743 -1.223 . . . . 0.0 112.263 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -143.2 166.78 23.76 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.441 1.897 . . . . 0.0 110.723 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -121.84 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 C-N-CA 124.236 1.015 . . . . 0.0 109.118 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -106.47 121.08 43.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 125.35 1.46 . . . . 0.0 110.548 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -116.84 99.09 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.333 1.453 . . . . 0.0 108.301 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -70.56 112.66 6.98 Favored 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.875 -0.515 . . . . 0.0 110.925 -173.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.35 -15.52 57.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.56 6.29 18.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.868 1.267 . . . . 0.0 113.936 167.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 51.29 43.0 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 127.959 2.504 . . . . 0.0 114.543 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -102.43 -17.28 15.89 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.37 24.82 67.26 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 119.726 1.148 . . . . 0.0 114.755 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -108.33 125.68 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 C-N-CA 125.528 1.531 . . . . 0.0 107.965 166.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 t -87.83 131.9 34.37 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.485 1.038 . . . . 0.0 113.519 -167.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -132.43 151.76 51.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.561 1.544 . . . . 0.0 111.057 171.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -25.75 68.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 115.656 1.725 . . . . 0.0 115.656 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -66.12 -17.79 64.94 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.37 -8.16 39.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.286 1.834 . . . . 0.0 113.396 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.94 152.11 20.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.363 1.465 . . . . 0.0 111.341 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -143.27 154.6 43.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.818 2.047 . . . . 0.0 111.754 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.2 p -78.74 167.12 21.66 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.426 164.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.75 -42.05 67.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 121.488 -0.758 . . . . 0.0 112.03 173.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.46 -42.03 98.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.107 0.963 . . . . 0.0 112.813 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.63 -24.18 64.52 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 120.85 -1.156 . . . . 0.0 112.748 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.5 0.38 56.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.567 1.547 . . . . 0.0 113.587 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.13 24.0 71.65 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.478 1.037 . . . . 0.0 114.379 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.0 mt -85.64 127.9 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.552 1.176 . . . . 0.0 108.263 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -107.49 -44.81 4.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.606 0.762 . . . . 0.0 112.536 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.3 p -155.05 158.41 39.04 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 119.044 0.838 . . . . 0.0 112.322 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.94 139.7 52.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.894 1.278 . . . . 0.0 110.579 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.57 135.35 34.15 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.054 0.942 . . . . 0.0 112.298 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.5 mt -95.56 0.02 52.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.94 137.46 33.09 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 121.162 -0.961 . . . . 0.0 111.647 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -150.19 173.19 14.2 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.539 1.136 . . . . 0.0 112.496 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -126.24 137.76 53.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 127.821 2.448 . . . . 0.0 109.727 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.35 127.93 34.19 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.665 0.786 . . . . 0.0 110.864 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.44 -30.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -173.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 44.42 46.19 7.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.486 1.914 . . . . 0.0 115.168 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.9 120.57 31.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.147 1.779 . . . . 0.0 111.713 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -72.62 113.63 9.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.036 -1.04 . . . . 0.0 110.34 170.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 17.2 mt -83.79 -22.24 31.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 108.59 175.72 21.77 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 125.434 1.493 . . . . 0.0 113.607 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 53.22 31.77 12.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 113.399 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.75 2.14 86.85 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.733 2.111 . . . . 0.0 116.005 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -108.71 144.12 36.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 120.087 1.944 . . . . 0.0 113.722 -170.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 96.1 m -141.0 124.79 16.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.591 1.156 . . . . 0.0 111.917 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 18.8 tp -87.76 110.25 20.32 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.802 1.641 . . . . 0.0 110.239 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.54 8.34 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -127.62 145.34 50.91 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.09 1.756 . . . . 0.0 110.098 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -135.96 141.39 44.45 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.598 1.159 . . . . 0.0 113.134 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.33 -150.78 5.37 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 128.889 3.138 . . . . 0.0 110.896 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.4 m -138.4 171.26 14.64 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.782 1.233 . . . . 0.0 114.132 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -127.1 158.9 35.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.826 2.05 . . . . 0.0 110.77 166.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.0 m -108.62 135.91 49.08 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.57 1.548 . . . . 0.0 111.849 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -100.55 159.29 15.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.74 1.616 . . . . 0.0 113.287 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.5 p -63.27 -25.71 68.45 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.24 1.816 . . . . 0.0 114.308 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -79.4 0.57 28.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.498 1.519 . . . . 0.0 114.773 171.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.69 77.03 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 126.279 1.895 . . . . 0.0 115.35 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 41.4 p -81.22 164.81 22.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.224 1.512 . . . . 0.0 112.41 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 50.5 p -122.61 153.1 39.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.965 1.306 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.09 161.65 37.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.517 1.127 . . . . 0.0 111.131 170.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -70.77 152.33 43.89 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -172.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.0 ptm -145.77 165.13 29.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.75 1.62 . . . . 0.0 110.498 165.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.56 165.99 34.54 Favored Glycine 0 N--CA 1.443 -0.874 0 O-C-N 120.689 -1.257 . . . . 0.0 113.979 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -82.6 106.82 14.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.784 -0.833 . . . . 0.0 110.328 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.48 113.98 25.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.002 1.321 . . . . 0.0 109.862 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.53 126.5 30.0 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 167.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 70.0 mt -94.45 151.49 19.33 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.217 1.007 . . . . 0.0 113.654 -168.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.5 153.96 14.99 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.616 1.167 . . . . 0.0 112.888 163.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -151.14 157.38 42.63 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -171.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.69 152.7 31.47 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.094 0.957 . . . . 0.0 112.424 166.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -57.98 124.57 19.76 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 125.871 1.668 . . . . 0.0 112.152 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 78.9 mt -116.56 -8.3 11.53 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.957 1.703 . . . . 0.0 113.712 171.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -83.34 -26.93 30.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.68 -1.263 . . . . 0.0 113.575 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 79.0 p -143.26 -7.95 0.79 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.649 1.579 . . . . 0.0 114.603 172.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 60.07 -1.16 0.2 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 128.613 2.765 . . . . 0.0 117.384 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -72.5 145.07 47.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.634 -1.291 . . . . 0.0 112.301 173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 59.6 mt -108.79 30.04 6.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.525 1.53 . . . . 0.0 112.039 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.243 0.739 0 C-N-CA 126.886 2.075 . . . . 0.0 114.031 -171.301 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.46 -0.477 0 CA-C-O 119.324 -0.365 . . . . 0.0 112.945 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.7 mt -68.88 127.95 34.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.83 153.92 45.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.338 2.655 . . . . 0.0 111.923 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -123.68 142.47 51.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.23 1.812 . . . . 0.0 110.636 176.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.84 97.04 7.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.636 1.575 . . . . 0.0 109.334 167.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.77 -13.44 39.49 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -167.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -112.18 -2.23 15.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.97 31.79 25.28 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 116.961 1.544 . . . . 0.0 116.961 168.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -126.4 23.1 6.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 119.665 1.732 . . . . 0.0 114.583 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.73 150.71 27.44 Favored Glycine 0 C--N 1.339 0.75 0 C-N-CA 126.636 2.065 . . . . 0.0 112.8 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -70.06 128.69 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -135.69 164.13 28.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.717 1.207 . . . . 0.0 113.182 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -132.1 161.63 32.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.32 1.448 . . . . 0.0 113.878 -167.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -142.91 160.02 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 125.929 1.692 . . . . 0.0 112.115 -176.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.96 150.06 47.1 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.83 1.252 . . . . 0.0 111.816 162.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p -75.6 145.57 41.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.018 0.927 . . . . 0.0 111.635 171.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -130.87 -35.89 1.4 Allowed 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.353 1.061 . . . . 0.0 113.072 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.2 -175.74 37.08 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 123.826 0.727 . . . . 0.0 112.987 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -134.59 146.02 49.21 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.232 1.013 . . . . 0.0 112.498 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.1 p -105.94 -6.94 18.45 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 126.15 1.78 . . . . 0.0 113.756 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.63 176.31 33.22 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 119.141 0.882 . . . . 0.0 114.559 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.4 m 49.72 40.34 19.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.707 2.003 . . . . 0.0 114.182 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.31 132.58 37.51 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 123.468 0.707 . . . . 0.0 110.263 174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -138.07 179.62 6.34 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.428 1.891 . . . . 0.0 111.205 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -102.02 -9.62 20.45 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.29 1.036 . . . . 0.0 113.303 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -97.84 -7.98 29.31 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.63 1.572 . . . . 0.0 114.998 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -152.58 150.16 29.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.689 1.596 . . . . 0.0 110.721 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -93.62 -10.53 34.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -89.51 170.4 10.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.091 0.956 . . . . 0.0 113.433 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -155.81 -144.91 4.04 Favored Glycine 0 C--N 1.339 0.725 0 C-N-CA 125.792 1.663 . . . . 0.0 111.266 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.7 pt -132.93 154.13 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.807 1.643 . . . . 0.0 111.51 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -141.12 162.08 36.33 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 126.666 1.986 . . . . 0.0 112.084 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -111.64 -32.46 6.66 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.604 1.161 . . . . 0.0 112.967 169.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.23 132.92 45.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 120.813 -1.179 . . . . 0.0 111.175 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 p -111.89 -16.52 13.12 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.062 1.345 . . . . 0.0 113.479 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.1 154.19 25.42 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 124.853 1.216 . . . . 0.0 112.312 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -147.75 170.96 16.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.306 1.042 . . . . 0.0 111.863 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.23 144.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 121.613 -0.679 . . . . 0.0 110.28 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t -60.71 151.85 28.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.134 0.973 . . . . 0.0 112.533 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.0 -12.69 61.02 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.06 -11.88 60.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 119.956 1.253 . . . . 0.0 112.737 167.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -112.53 -175.04 2.58 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 128.85 2.86 . . . . 0.0 111.075 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.33 171.24 41.95 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.866 -1.146 . . . . 0.0 114.668 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.8 mt -100.93 141.11 34.29 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.413 1.485 . . . . 0.0 111.615 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 tp -78.79 131.06 36.37 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 123.862 0.865 . . . . 0.0 109.815 171.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 m -145.7 171.16 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.631 1.172 . . . . 0.0 112.368 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -143.69 145.33 32.35 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.879 1.672 . . . . 0.0 110.848 166.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -84.82 134.73 34.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.722 0.692 . . . . 0.0 109.617 165.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -105.18 -15.78 14.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.289 1.835 . . . . 0.0 113.458 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -126.96 2.11 6.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 21.66 70.92 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 120.116 1.326 . . . . 0.0 115.569 171.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -95.52 -2.38 48.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.351 1.461 . . . . 0.0 113.902 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.37 11.84 85.13 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-O 117.935 -1.48 . . . . 0.0 115.743 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.38 162.74 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.966 1.706 . . . . 0.0 111.671 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.0 mm -99.32 100.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 125.843 1.657 . . . . 0.0 109.807 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -147.8 -3.6 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.329 1.451 . . . . 0.0 114.741 -169.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -113.42 30.99 6.79 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 120.555 1.525 . . . . 0.0 114.669 -172.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -74.8 1.51 Allowed Glycine 0 C--N 1.338 0.649 0 C-N-CA 124.337 0.97 . . . . 0.0 114.581 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 2.27 0.73 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.14 2.176 . . . . 0.0 114.743 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.13 -21.2 36.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.589 2.755 . . . . 0.0 113.356 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.8 154.94 19.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.626 1.97 . . . . 0.0 110.313 165.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 70.3 m-85 -107.15 107.31 18.22 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.667 1.187 . . . . 0.0 110.948 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.55 -160.79 10.89 Favored Glycine 0 C--N 1.335 0.487 0 CA-C-N 118.776 0.716 . . . . 0.0 114.649 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -66.7 149.33 50.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.323 -1.104 . . . . 0.0 111.175 166.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.36 6.25 1.85 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -65.32 127.06 30.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 119.897 1.226 . . . . 0.0 110.925 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -76.37 136.79 39.51 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.62 1.168 . . . . 0.0 112.292 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.2 mt -108.56 173.03 6.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.909 2.483 . . . . 0.0 111.853 -173.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.32 71.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -168.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -92.46 12.74 21.78 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 120.029 1.286 . . . . 0.0 113.735 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.42 -2.83 84.18 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 125.712 1.625 . . . . 0.0 115.344 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -69.14 171.29 8.55 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 119.314 1.557 . . . . 0.0 112.786 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -124.41 140.76 52.65 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.465 -0.772 . . . . 0.0 111.863 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 144.39 44.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.701 0.8 . . . . 0.0 111.681 172.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -83.64 -22.96 32.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -158.96 173.17 16.91 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.941 1.697 . . . . 0.0 111.74 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.55 -38.83 96.47 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -67.62 -37.2 82.16 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 118.643 1.222 . . . . 0.0 112.235 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.35 73.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.827 0.74 . . . . 0.0 112.843 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -30.28 70.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.087 -1.008 . . . . 0.0 113.222 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.22 -28.17 22.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.548 1.139 . . . . 0.0 112.974 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -21.8 65.26 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.45 -17.18 64.14 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.717 1.207 . . . . 0.0 113.857 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.6 mt -99.35 1.5 44.47 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -166.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -78.32 119.31 21.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.759 0.709 . . . . 0.0 109.659 166.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -90.22 -30.96 17.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.879 -1.138 . . . . 0.0 113.611 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -107.43 -3.9 19.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.196 1.798 . . . . 0.0 115.157 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.35 36.08 40.45 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 119.042 0.837 . . . . 0.0 114.86 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.1 p30 -96.29 -3.05 44.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.034 1.334 . . . . 0.0 113.51 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.252 4.0 t30 66.33 25.96 10.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 127.412 2.285 . . . . 0.0 115.098 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 pt -132.94 154.35 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.248 1.419 . . . . 0.0 111.591 167.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -100.67 119.09 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 124.425 1.09 . . . . 0.0 109.006 171.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -151.03 168.82 23.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.756 1.223 . . . . 0.0 112.087 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.25 -16.63 47.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 -167.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.65 58.56 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 171.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -69.87 146.04 51.58 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.937 1.295 . . . . 0.0 113.255 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.34 72.96 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -173.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.85 -19.86 60.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.58 -44.6 89.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -152.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 119.79 1.177 . . . . 0.0 113.8 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.4 m -76.67 -22.97 53.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 120.949 -1.094 . . . . 0.0 112.013 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.9 mt -71.96 142.35 49.41 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.0 110.753 170.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -142.25 171.59 13.85 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.223 2.209 . . . . 0.0 110.193 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.9 t -124.64 135.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.699 1.2 . . . . 0.0 110.372 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -112.19 120.61 42.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.54 1.536 . . . . 0.0 110.595 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.48 101.34 9.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.717 1.207 . . . . 0.0 109.745 173.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.25 118.18 19.5 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.674 -0.641 . . . . 0.0 112.081 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.6 mt -88.58 -22.35 23.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -114.04 -12.49 12.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 51.31 60.86 3.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.999 2.119 . . . . 0.0 113.84 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -96.23 -11.18 26.42 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.685 1.994 . . . . 0.0 114.24 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.12 11.13 83.99 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 125.164 1.364 . . . . 0.0 115.044 -170.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -128.36 142.0 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.739 2.015 . . . . 0.0 110.225 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.0 t -93.38 140.12 29.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.384 -0.822 . . . . 0.0 112.398 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -136.59 149.67 48.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 126.354 1.862 . . . . 0.0 109.802 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.67 -23.44 66.78 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -164.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -67.42 -13.55 62.13 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.173 1.389 . . . . 0.0 114.186 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -97.5 -5.39 36.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.946 1.698 . . . . 0.0 113.689 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.13 151.47 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.311 1.044 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.13 153.52 45.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.497 2.319 . . . . 0.0 110.46 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -78.53 158.78 28.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.457 1.123 . . . . 0.0 111.548 167.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -33.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.164 -0.96 . . . . 0.0 110.814 167.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.81 -40.06 63.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.977 1.311 . . . . 0.0 112.81 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -71.22 -26.15 62.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.216 -1.552 . . . . 0.0 112.791 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -80.44 -1.91 43.56 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.652 1.581 . . . . 0.0 113.477 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.54 26.81 72.89 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.368 0.985 . . . . 0.0 114.893 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.83 129.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 124.883 1.273 . . . . 0.0 108.709 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -101.19 -41.16 6.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.54 1.136 . . . . 0.0 112.237 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.3 p -157.89 160.21 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -124.08 139.33 54.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.76 1.624 . . . . 0.0 110.046 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -86.37 133.76 33.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.081 0.952 . . . . 0.0 111.159 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.44 -4.76 58.57 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.58 28.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.843 0.857 . . . . 0.0 112.494 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -145.34 166.5 25.39 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -127.08 144.07 51.12 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 128.642 2.777 . . . . 0.0 110.649 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -81.29 134.36 35.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.662 0.785 . . . . 0.0 111.312 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.61 -29.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 125.137 1.375 . . . . 0.0 113.744 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.2 m120 51.09 45.53 27.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.957 1.703 . . . . 0.0 114.002 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -103.24 128.13 50.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.657 1.983 . . . . 0.0 112.153 -163.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -79.16 124.6 28.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.353 1.461 . . . . 0.0 110.148 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.58 -24.16 12.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 116.18 157.44 11.12 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.518 1.056 . . . . 0.0 113.35 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 m120 58.82 30.61 20.29 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.423 1.889 . . . . 0.0 114.376 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.66 78.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 125.171 1.367 . . . . 0.0 116.002 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.79 144.77 40.54 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.031 1.416 . . . . 0.0 111.903 -170.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.3 m -138.87 126.58 22.06 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.95 0.9 . . . . 0.0 112.103 -169.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 35.5 tp -81.54 106.76 13.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.35 1.06 . . . . 0.0 110.18 172.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.22 -54.2 7.52 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 118.328 0.513 . . . . 0.0 111.89 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -135.65 152.54 51.32 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.558 1.143 . . . . 0.0 111.322 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -141.25 150.76 43.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.102 1.361 . . . . 0.0 112.399 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.33 -154.38 7.06 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 127.869 2.652 . . . . 0.0 110.985 168.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 49.9 m -133.66 151.88 51.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 119.082 1.441 . . . . 0.0 114.114 -176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -118.5 155.34 31.01 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.698 1.599 . . . . 0.0 110.413 171.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.2 m -116.14 134.4 54.98 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.04 1.336 . . . . 0.0 112.248 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -96.03 163.05 13.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.81 1.644 . . . . 0.0 113.102 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.8 p -60.03 -31.31 69.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.196 1.399 . . . . 0.0 113.317 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -76.54 0.12 21.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.21 -0.2 88.74 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 125.023 1.297 . . . . 0.0 116.331 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 47.5 p -78.3 163.31 25.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 119.011 1.405 . . . . 0.0 111.919 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.2 p -125.58 161.33 27.45 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.465 1.106 . . . . 0.0 112.852 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -148.0 168.16 23.03 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.758 1.223 . . . . 0.0 110.391 165.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -67.68 147.32 52.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -134.6 160.56 37.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.802 1.641 . . . . 0.0 109.072 163.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.31 172.04 42.29 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 120.995 -1.066 . . . . 0.0 115.644 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -90.08 105.35 17.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.167 1.387 . . . . 0.0 109.909 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.92 121.25 44.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 127.128 2.171 . . . . 0.0 110.312 -172.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.7 mt -75.97 128.89 36.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.504 1.122 . . . . 0.0 110.778 174.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.0 127.24 54.68 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.456 1.502 . . . . 0.0 111.619 -171.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -78.8 133.73 37.05 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -172.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -154.84 145.16 22.01 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.763 1.225 . . . . 0.0 113.81 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -102.32 155.17 18.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 127.963 2.505 . . . . 0.0 110.679 173.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -85.56 -26.47 26.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.898 0.879 . . . . 0.0 112.207 167.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.71 101.63 9.41 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.19 109.22 2.98 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.495 1.518 . . . . 0.0 109.688 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 22.4 m -143.78 162.82 35.06 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -159.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -23.14 27.48 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 58.95 -177.63 0.08 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.316 1.847 . . . . 0.0 113.856 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.55 -41.71 92.69 Favored 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 120.219 -1.551 . . . . 0.0 111.748 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 127.045 2.138 . . . . 0.0 111.781 -179.075 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 10.2 Cg_exo . . . . . 0 C--O 1.226 -0.123 0 N-CA-C 113.2 0.423 . . . . 0.0 113.2 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.75 136.32 56.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.884 0.874 . . . . 0.0 112.935 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.31 154.15 50.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.684 1.994 . . . . 0.0 112.065 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -116.58 141.63 47.95 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 110.594 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -77.29 105.05 8.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.506 1.122 . . . . 0.0 110.43 168.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -89.17 -41.44 12.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.081 -1.012 . . . . 0.0 113.651 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -86.23 -3.93 59.07 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 120.754 1.615 . . . . 0.0 114.143 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.92 31.34 26.55 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.551 165.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -124.15 17.06 9.18 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 119.903 1.851 . . . . 0.0 113.786 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.75 149.55 25.81 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 127.083 2.278 . . . . 0.0 113.531 -172.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 mt -69.16 131.4 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 121.879 -0.777 . . . . 0.0 109.95 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -119.39 158.53 25.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.659 1.584 . . . . 0.0 113.06 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -136.43 164.46 28.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.219 1.408 . . . . 0.0 112.397 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 m -146.55 169.81 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 C-N-CA 127.159 2.183 . . . . 0.0 111.786 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.51 156.69 36.62 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 123.568 0.747 . . . . 0.0 111.379 153.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.2 p -70.8 154.72 41.58 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.121 -0.987 . . . . 0.0 113.204 174.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 47.65 47.61 17.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.806 2.042 . . . . 0.0 115.452 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.07 -27.5 73.67 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 120.404 -1.435 . . . . 0.0 115.893 -175.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.45 -37.22 3.19 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 125.486 1.514 . . . . 0.0 112.629 176.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t 63.23 136.66 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 128.526 2.73 . . . . 0.0 116.333 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.12 -6.26 68.13 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.534 1.064 . . . . 0.0 114.192 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -153.59 133.51 13.18 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 126.503 1.921 . . . . 0.0 111.627 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.76 -6.14 39.21 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -101.92 -14.3 17.27 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.061 1.744 . . . . 0.0 112.512 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -92.14 -16.72 25.93 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.225 1.41 . . . . 0.0 114.026 -174.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 -26.93 7.68 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 173.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.12 112.08 1.41 Allowed 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.159 0.984 . . . . 0.0 111.683 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 50.87 21.53 0.97 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.323 1.849 . . . . 0.0 115.228 -173.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.12 130.86 44.7 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.154 -0.967 . . . . 0.0 111.117 -174.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.71 11.06 47.97 Favored Glycine 0 C--N 1.343 0.957 0 CA-C-O 118.834 -0.981 . . . . 0.0 114.869 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.308 10.4 pt 54.36 12.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 127.947 2.499 . . . . 0.0 116.296 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -146.75 150.12 34.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.412 1.885 . . . . 0.0 110.466 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -114.36 67.17 0.68 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.02 1.328 . . . . 0.0 109.642 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.5 -3.69 1.15 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -157.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.4 p -96.72 148.65 22.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.424 1.011 . . . . 0.0 112.482 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.76 163.42 16.15 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 125.335 1.445 . . . . 0.0 114.174 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -148.76 171.52 16.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.764 1.226 . . . . 0.0 111.637 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.7 142.63 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 121.254 -0.904 . . . . 0.0 111.294 170.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -59.83 150.06 29.45 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.542 1.137 . . . . 0.0 112.179 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.74 -19.82 66.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.47 -7.11 55.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.671 1.189 . . . . 0.0 113.759 173.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -119.51 -170.95 2.03 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 128.859 2.864 . . . . 0.0 111.77 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.01 160.46 33.95 Favored Glycine 0 N--CA 1.448 -0.538 0 O-C-N 121.155 -0.966 . . . . 0.0 115.075 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.7 mt -83.7 141.79 31.2 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.204 1.002 . . . . 0.0 111.514 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -76.8 128.35 34.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.62 -0.675 . . . . 0.0 109.545 166.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.68 162.16 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -143.65 116.64 8.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.714 1.206 . . . . 0.0 110.74 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -76.52 114.38 15.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.911 0.485 . . . . 0.0 110.306 171.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.41 -8.88 40.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 126.351 1.86 . . . . 0.0 114.347 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -126.83 -4.08 6.44 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.94 20.69 69.88 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -84.52 -0.02 51.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.05 -0.51 87.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 126.106 1.812 . . . . 0.0 115.094 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 pt -133.24 160.45 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 125.339 1.456 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.38 100.12 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.782 1.633 . . . . 0.0 108.552 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -143.6 3.26 1.28 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -167.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -119.4 150.51 40.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.898 1.679 . . . . 0.0 111.634 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.28 -30.26 70.62 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 125.073 1.321 . . . . 0.0 115.394 -171.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.34 -2.54 53.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.26 -9.34 57.85 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 124.834 1.254 . . . . 0.0 114.254 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.7 mt -97.78 151.64 19.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.631 1.572 . . . . 0.0 109.941 162.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 91.4 m-85 -93.95 110.94 22.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.33 -0.857 . . . . 0.0 109.326 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.46 -156.44 9.93 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 124.205 0.907 . . . . 0.0 111.971 -175.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -71.37 160.11 33.36 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 122.13 0.967 . . . . 0.0 112.828 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.16 6.3 2.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 127.106 2.163 . . . . 0.0 116.131 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.0 m -62.55 129.87 42.56 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 119.849 -1.782 . . . . 0.0 109.21 160.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -84.28 142.38 30.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.109 -0.995 . . . . 0.0 111.166 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.6 mt -108.04 165.98 11.07 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 127.15 2.18 . . . . 0.0 111.986 -170.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.6 72.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -169.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -78.84 -7.26 57.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.997 1.319 . . . . 0.0 113.587 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.72 -1.74 61.82 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 126.198 1.856 . . . . 0.0 114.857 -173.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.6 m -72.38 171.4 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 119.668 1.734 . . . . 0.0 112.401 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.75 147.76 34.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.057 0.943 . . . . 0.0 111.987 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.23 134.79 50.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.172 1.389 . . . . 0.0 111.547 174.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -74.73 -31.33 61.8 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.312 1.445 . . . . 0.0 112.915 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -160.36 167.34 27.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.028 1.731 . . . . 0.0 111.632 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.11 -26.92 69.71 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 -173.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.58 -37.97 74.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.982 1.391 . . . . 0.0 111.874 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.92 72.85 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 118.986 0.812 . . . . 0.0 112.611 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.26 71.84 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.4 tp -82.57 -34.8 27.61 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.191 1.396 . . . . 0.0 113.831 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.44 -20.91 61.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.79 -21.08 60.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.1 mt -94.71 3.47 55.01 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -170.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -79.25 123.62 27.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.513 1.506 . . . . 0.0 111.445 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 m -92.84 -14.54 27.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.765 2.026 . . . . 0.0 114.403 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -109.38 -21.56 12.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.22 46.5 20.94 Favored Glycine 0 C--O 1.225 -0.467 0 C-N-CA 123.921 0.772 . . . . 0.0 112.976 -172.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -124.24 1.87 8.49 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.473 1.509 . . . . 0.0 114.281 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 t30 60.02 24.92 14.12 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 127.67 2.388 . . . . 0.0 116.135 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.8 pt -134.38 157.97 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 125.523 1.529 . . . . 0.0 112.059 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.16 118.58 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.145 1.378 . . . . 0.0 110.024 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -158.98 175.52 13.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.712 1.605 . . . . 0.0 111.641 -167.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.0 -13.25 23.93 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.93 -12.48 60.97 Favored 'General case' 0 N--CA 1.445 -0.724 0 O-C-N 120.463 -1.398 . . . . 0.0 114.403 167.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -87.27 142.99 27.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.319 1.447 . . . . 0.0 114.316 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.52 78.02 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.112 1.365 . . . . 0.0 114.033 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 -16.14 44.56 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.16 -42.74 73.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -161.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -72.25 -7.75 51.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.783 -1.198 . . . . 0.0 113.894 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.8 m -96.75 -2.87 43.46 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 125.202 1.401 . . . . 0.0 113.386 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.85 147.56 41.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 119.536 1.062 . . . . 0.0 110.994 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -138.29 171.72 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.864 2.066 . . . . 0.0 110.702 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -123.82 128.7 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.321 1.448 . . . . 0.0 110.025 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -100.77 121.39 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.063 0.945 . . . . 0.0 111.601 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -115.79 99.09 7.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.703 1.601 . . . . 0.0 110.185 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -86.15 93.66 9.08 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.44 0.638 . . . . 0.0 109.62 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.4 mt -72.11 -25.86 61.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.54 1.136 . . . . 0.0 112.989 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.89 -9.62 59.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.998 1.319 . . . . 0.0 112.736 167.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 59.54 32.86 21.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.002 1.721 . . . . 0.0 113.122 169.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -88.82 -31.32 18.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 120.612 -1.305 . . . . 0.0 114.075 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.38 15.77 54.6 Favored Glycine 0 C--N 1.341 0.844 0 N-CA-C 115.414 0.926 . . . . 0.0 115.414 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -120.17 139.9 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.063 1.745 . . . . 0.0 108.229 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.8 t -94.75 132.72 39.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -165.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -117.56 147.37 42.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.485 1.914 . . . . 0.0 109.507 167.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.73 71.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -164.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -66.1 -20.85 66.29 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -79.45 -6.42 56.86 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 120.536 1.516 . . . . 0.0 113.583 -175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.58 135.9 33.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 110.741 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -107.55 150.55 26.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.236 2.614 . . . . 0.0 110.798 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -71.46 158.39 36.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.007 0.923 . . . . 0.0 111.661 161.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.89 -26.18 62.23 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.338 -0.851 . . . . 0.0 110.694 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.04 -48.57 67.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.145 1.378 . . . . 0.0 111.762 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -27.97 65.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.69 -1.256 . . . . 0.0 113.867 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -79.81 -17.14 54.05 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.171 1.388 . . . . 0.0 113.037 171.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.43 47.08 44.99 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.431 1.015 . . . . 0.0 113.411 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.14 125.44 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 127.305 2.242 . . . . 0.0 109.61 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -108.21 -47.97 3.44 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.493 1.117 . . . . 0.0 113.572 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.5 p -154.58 145.92 22.98 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.107 0.867 . . . . 0.0 112.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.93 137.34 51.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.222 1.409 . . . . 0.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -81.58 130.72 35.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.102 0.961 . . . . 0.0 111.126 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -82.53 -7.86 59.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 174.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -83.05 151.15 25.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.216 0.917 . . . . 0.0 112.335 170.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -147.72 166.79 26.41 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.56 1.144 . . . . 0.0 112.151 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -121.48 137.74 54.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.555 1.542 . . . . 0.0 109.155 162.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -75.19 136.73 41.0 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.001 0.521 . . . . 0.0 111.412 172.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.0 m -132.75 -24.65 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 46.08 46.93 12.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -87.74 123.03 32.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.061 1.344 . . . . 0.0 111.392 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -88.54 104.62 17.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.296 1.039 . . . . 0.0 109.876 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.05 10.53 37.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.442 1.497 . . . . 0.0 114.822 -168.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 74.21 175.79 33.84 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 120.664 -1.273 . . . . 0.0 113.816 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.5 m120 54.31 22.19 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.176 1.79 . . . . 0.0 115.116 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.08 13.76 68.25 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -109.85 138.13 46.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 118.914 1.357 . . . . 0.0 112.764 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.3 m -138.22 127.5 24.48 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.202 1.001 . . . . 0.0 111.005 173.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 55.3 tp -84.04 110.83 18.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 109.055 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.06 -50.59 11.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.865 0.466 . . . . 0.0 111.956 -177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.14 147.34 29.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.842 1.257 . . . . 0.0 112.411 -175.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -132.06 146.05 51.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 111.942 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.39 5.4 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 127.977 2.703 . . . . 0.0 110.965 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.5 m -133.96 163.25 29.95 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -135.07 156.47 48.98 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.84 1.656 . . . . 0.0 111.186 165.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.8 m -107.55 141.31 39.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 126.437 1.895 . . . . 0.0 110.217 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -97.5 161.29 13.85 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.084 1.754 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 51.7 p -68.04 -10.54 54.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -93.13 1.14 57.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 126.032 1.733 . . . . 0.0 114.801 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.03 -6.49 82.68 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 125.543 1.544 . . . . 0.0 116.094 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 57.0 p -77.7 166.52 22.87 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.147 1.474 . . . . 0.0 111.959 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 74.3 p -124.55 158.24 33.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.76 0.824 . . . . 0.0 113.075 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.37 163.3 36.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.252 1.421 . . . . 0.0 110.966 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -75.87 153.19 36.93 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.998 0.904 . . . . 0.0 113.345 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptm -142.45 161.39 38.17 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.93 1.692 . . . . 0.0 109.945 166.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.07 169.64 42.57 Favored Glycine 0 N--CA 1.443 -0.836 0 O-C-N 121.059 -1.026 . . . . 0.0 114.62 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -97.65 117.5 32.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.432 1.493 . . . . 0.0 110.258 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.57 128.66 54.72 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.014 0.926 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.15 116.88 21.91 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.753 1.621 . . . . 0.0 108.851 171.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 27.2 mt -112.14 128.47 56.23 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.588 1.155 . . . . 0.0 110.948 -170.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.46 119.15 11.79 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 163.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -148.06 165.23 31.42 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.532 0.682 . . . . 0.0 112.624 -167.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -100.82 144.37 29.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.652 1.181 . . . . 0.0 110.357 161.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -85.13 57.16 4.29 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.269 1.028 . . . . 0.0 111.45 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 88.7 mt -86.4 49.48 1.8 Allowed 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 126.266 1.826 . . . . 0.0 110.697 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -149.31 160.83 43.07 Favored 'General case' 0 CA--C 1.517 -0.327 0 C-N-CA 127.821 2.448 . . . . 0.0 110.034 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.9 m -77.94 144.83 36.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.047 -1.033 . . . . 0.0 113.535 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -61.05 142.89 56.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.189 0.996 . . . . 0.0 112.377 169.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -67.7 136.91 55.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.512 0.725 . . . . 0.0 111.053 168.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 95.9 mt -134.24 145.05 48.78 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.063 1.745 . . . . 0.0 110.22 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 124.989 1.316 . . . . 0.0 112.822 -177.335 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo . . . . . 0 CA--C 1.53 0.275 0 N-CA-C 114.32 0.854 . . . . 0.0 114.32 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.68 126.3 29.27 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.369 1.068 . . . . 0.0 111.527 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.89 143.15 51.19 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.02 1.728 . . . . 0.0 112.002 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -115.81 137.11 52.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.029 2.532 . . . . 0.0 110.168 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.79 111.57 19.31 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.456 1.502 . . . . 0.0 109.448 166.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.68 -27.03 21.52 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -170.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -111.76 -17.87 12.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.89 55.3 1.77 Allowed Glycine 0 C--N 1.343 0.942 0 O-C-N 120.992 -1.068 . . . . 0.0 114.719 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -144.96 25.62 1.41 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 167.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.47 175.53 45.69 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 125.429 1.49 . . . . 0.0 113.44 -176.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mt -92.59 137.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 C-N-CA 125.298 1.439 . . . . 0.0 108.865 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -120.77 151.16 39.93 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.785 1.634 . . . . 0.0 110.298 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -133.27 165.84 23.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.854 -1.154 . . . . 0.0 112.666 -173.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.72 154.9 30.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 C-N-CA 126.568 1.947 . . . . 0.0 110.645 175.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.85 -26.07 34.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -176.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p -136.34 155.24 50.34 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.291 1.836 . . . . 0.0 111.579 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -116.79 168.32 10.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.798 1.639 . . . . 0.0 111.357 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.84 156.73 43.32 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 115.625 1.01 . . . . 0.0 115.625 -167.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -138.39 -8.3 1.5 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m 49.81 47.85 22.48 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.305 1.442 . . . . 0.0 114.673 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.06 3.06 50.77 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 117.068 1.587 . . . . 0.0 117.068 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -128.84 163.49 25.1 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 119.715 1.758 . . . . 0.0 112.04 -173.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.98 128.31 35.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 167.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -158.97 147.77 18.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -172.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -139.51 147.97 42.0 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.914 1.685 . . . . 0.0 110.573 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -100.75 -101.61 0.25 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.051 1.34 . . . . 0.0 112.644 -168.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -149.15 124.18 10.04 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.128 0.971 . . . . 0.0 110.768 -167.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER 51.16 17.39 0.47 Allowed 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 129.251 3.02 . . . . 0.0 117.468 174.421 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -123.5 -8.6 8.02 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 125.359 1.463 . . . . 0.0 113.947 -166.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.64 -158.76 25.69 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 125.603 1.573 . . . . 0.0 114.465 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 pt -111.7 16.74 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 126.727 2.011 . . . . 0.0 113.463 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -154.05 150.38 28.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.942 2.097 . . . . 0.0 110.983 171.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 p -78.29 29.39 0.18 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.84 44.46 0.22 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 126.521 1.928 . . . . 0.0 112.387 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p -141.55 135.79 30.46 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.335 1.854 . . . . 0.0 111.786 -155.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.82 160.59 54.11 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 123.957 0.789 . . . . 0.0 114.67 -167.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -154.18 173.15 16.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.621 1.168 . . . . 0.0 111.974 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.78 151.5 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.97 -1.081 . . . . 0.0 112.167 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 p -64.53 158.25 24.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -14.08 39.93 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.707 -1.246 . . . . 0.0 114.269 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.27 -28.45 59.79 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.948 1.299 . . . . 0.0 113.636 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -109.11 143.61 38.25 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.602 1.561 . . . . 0.0 113.31 -168.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.32 127.32 8.86 Favored Glycine 0 C--N 1.337 0.591 0 O-C-N 121.493 -0.754 . . . . 0.0 113.91 -167.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.15 144.85 29.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.631 1.216 . . . . 0.0 111.04 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 tp -86.98 128.61 35.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 123.401 0.68 . . . . 0.0 111.484 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -143.21 164.43 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 125.088 1.355 . . . . 0.0 113.1 -176.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -152.28 113.01 4.15 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.294 1.838 . . . . 0.0 110.602 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -81.68 113.98 20.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.906 0.882 . . . . 0.0 110.816 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.6 -13.32 62.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -102.13 -9.54 20.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.848 1.659 . . . . 0.0 113.398 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.94 85.87 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.241 0.924 . . . . 0.0 115.085 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -110.01 -7.23 14.97 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 118.652 1.226 . . . . 0.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.74 39.38 Favored Glycine 0 C--N 1.341 0.821 0 C-N-CA 126.026 1.774 . . . . 0.0 115.81 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.3 mm -126.02 124.68 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 118.775 1.287 . . . . 0.0 111.503 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.84 101.56 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.278 1.831 . . . . 0.0 108.37 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.35 -15.78 2.17 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.43 154.03 22.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.965 1.306 . . . . 0.0 114.064 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.94 -18.83 34.81 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 126.22 1.867 . . . . 0.0 116.99 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.91 -9.42 58.73 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.715 1.758 . . . . 0.0 114.847 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.74 -22.12 17.16 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -160.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.78 134.54 44.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.542 1.537 . . . . 0.0 109.556 167.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.65 123.71 32.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.217 0.607 . . . . 0.0 111.426 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.18 -158.11 25.43 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 125.941 1.734 . . . . 0.0 111.97 -175.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -70.4 143.03 51.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.441 1.115 . . . . 0.0 112.557 169.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.12 20.9 8.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.151 2.18 . . . . 0.0 115.051 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.5 m -62.62 133.22 54.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.854 -1.154 . . . . 0.0 109.999 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -83.76 140.78 31.87 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.51 172.14 6.99 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 127.555 2.342 . . . . 0.0 112.774 -172.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.52 63.69 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -103.21 11.14 37.3 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.036 1.334 . . . . 0.0 112.876 171.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.04 -3.87 84.64 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 125.803 1.668 . . . . 0.0 115.523 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -67.44 154.93 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.893 1.846 . . . . 0.0 112.103 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -99.88 129.79 46.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 123.932 0.893 . . . . 0.0 111.867 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.35 135.36 44.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.448 1.099 . . . . 0.0 112.135 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -74.21 -26.1 60.06 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -174.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -155.82 169.92 23.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.361 2.264 . . . . 0.0 110.899 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.62 -29.91 76.46 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 115.579 0.992 . . . . 0.0 115.579 -172.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.79 -32.41 67.6 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 118.413 1.106 . . . . 0.0 112.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.93 69.57 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 118.549 0.613 . . . . 0.0 111.902 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.83 81.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.736 0.814 . . . . 0.0 112.989 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.2 tp -84.95 -32.63 22.94 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.431 1.093 . . . . 0.0 113.596 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -19.23 63.75 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -64.53 -18.52 64.9 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 mt -96.23 5.88 50.03 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.58 120.96 21.71 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 121.213 -0.929 . . . . 0.0 110.313 165.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -87.94 -33.47 18.45 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -109.18 -19.17 13.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.306 1.443 . . . . 0.0 114.834 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.49 71.57 1.31 Allowed Glycine 0 C--O 1.224 -0.502 0 CA-C-N 119.394 0.997 . . . . 0.0 112.729 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -132.02 4.44 4.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.542 1.537 . . . . 0.0 113.331 172.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.8 t30 61.37 22.41 12.8 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.622 2.369 . . . . 0.0 114.836 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 pt -131.74 150.24 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 124.739 1.216 . . . . 0.0 111.588 171.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.2 mm -98.12 110.45 25.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 172.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -143.28 169.14 18.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.688 1.595 . . . . 0.0 111.935 -170.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.48 -16.08 33.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -168.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.67 -14.55 58.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.18 149.85 40.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 120.196 1.362 . . . . 0.0 113.577 171.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.36 69.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.1 -17.55 32.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -54.42 -47.95 72.21 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 120.31 1.414 . . . . 0.0 113.78 -167.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.86 -11.32 60.55 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 124.135 0.974 . . . . 0.0 113.229 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.0 m -85.23 -26.42 26.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.217 1.407 . . . . 0.0 113.696 172.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.94 149.34 47.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 121.268 -0.895 . . . . 0.0 112.325 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -135.52 156.71 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.887 1.275 . . . . 0.0 111.634 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -110.97 137.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.439 1.496 . . . . 0.0 109.273 171.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -128.58 127.21 41.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.469 1.508 . . . . 0.0 113.377 -164.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -125.61 133.76 52.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.365 1.466 . . . . 0.0 112.147 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -79.21 67.24 4.88 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.648 1.113 . . . . 0.0 113.478 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.08 -36.1 76.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.345 -1.472 . . . . 0.0 112.339 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -85.3 -8.3 58.56 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.638 1.175 . . . . 0.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 55.18 56.31 6.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.745 1.618 . . . . 0.0 113.241 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -153.42 147.84 25.99 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 127.205 2.202 . . . . 0.0 111.988 172.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.08 -13.54 57.74 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 120.254 -1.529 . . . . 0.0 116.356 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -80.47 153.47 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.476 1.51 . . . . 0.0 112.563 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.49 145.94 52.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.379 1.471 . . . . 0.0 113.385 170.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -137.5 149.58 46.89 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.724 2.01 . . . . 0.0 109.269 157.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.28 97.12 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 120.195 -1.565 . . . . 0.0 114.726 -168.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -68.14 -8.12 35.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.949 1.3 . . . . 0.0 114.289 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -77.84 -13.8 59.77 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.6 154.95 19.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.184 1.394 . . . . 0.0 112.491 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -139.38 145.37 38.87 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 127.458 2.303 . . . . 0.0 110.055 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -70.1 165.68 21.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.801 0.841 . . . . 0.0 111.72 162.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 97.8 mt -74.54 -35.46 63.12 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.467 -0.771 . . . . 0.0 110.954 170.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.49 -37.82 83.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.33 -24.79 62.18 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.792 1.178 . . . . 0.0 113.231 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.7 -7.76 59.63 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.019 1.328 . . . . 0.0 113.543 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.22 36.73 59.87 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 119.194 0.906 . . . . 0.0 113.061 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.1 mt -90.63 135.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.89 1.345 . . . . 0.0 110.457 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -97.26 -45.56 6.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.929 1.691 . . . . 0.0 111.912 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.6 p -163.09 161.52 25.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.486 0.715 . . . . 0.0 112.209 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mp -114.24 138.37 50.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.055 1.342 . . . . 0.0 109.666 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -85.87 126.67 34.24 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.321 1.049 . . . . 0.0 111.182 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.74 -12.73 60.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.86 139.13 41.53 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 119.43 1.014 . . . . 0.0 112.251 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -142.85 165.92 26.06 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 124.492 1.117 . . . . 0.0 111.751 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 109.687 165.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.69 126.1 29.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 169.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.39 -31.26 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 43.84 61.74 2.19 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.439 1.895 . . . . 0.0 113.657 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -106.64 137.76 44.06 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.127 2.171 . . . . 0.0 112.531 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.56 137.62 42.5 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.988 0.915 . . . . 0.0 111.535 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.41 5.14 34.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.314 1.446 . . . . 0.0 113.532 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.91 -175.48 27.29 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 121.362 -0.836 . . . . 0.0 111.905 -155.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 54.87 18.83 2.34 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.402 1.481 . . . . 0.0 114.863 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.9 8.3 72.8 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 124.905 1.24 . . . . 0.0 115.367 -174.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -102.97 155.53 18.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.274 1.537 . . . . 0.0 112.284 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 m -130.93 136.42 48.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.2 tp -89.3 108.47 19.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.035 1.334 . . . . 0.0 108.409 162.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.46 -49.5 11.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 117.863 0.302 . . . . 0.0 111.659 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -134.97 134.68 40.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.208 1.403 . . . . 0.0 110.288 -171.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -125.47 139.95 53.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.139 0.976 . . . . 0.0 111.862 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.75 -148.71 5.06 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 126.634 2.064 . . . . 0.0 112.213 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.2 p -148.38 167.59 24.85 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -130.64 161.97 30.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.988 1.315 . . . . 0.0 110.045 162.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 97.7 m -116.38 136.26 53.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.4 1.48 . . . . 0.0 110.946 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.71 156.26 16.64 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.401 1.88 . . . . 0.0 111.493 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 35.4 p -62.65 -23.4 67.07 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -73.54 4.74 4.51 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.946 1.698 . . . . 0.0 115.402 171.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.83 14.13 82.69 Favored Glycine 0 N--CA 1.446 -0.685 0 O-C-N 120.834 -1.166 . . . . 0.0 114.817 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 24.9 p -98.49 158.83 15.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.886 1.343 . . . . 0.0 112.285 173.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 m -106.64 150.8 25.85 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.762 1.225 . . . . 0.0 110.39 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -142.1 158.24 43.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 126.617 1.967 . . . . 0.0 111.469 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.87 144.22 28.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.951 -1.093 . . . . 0.0 113.317 -169.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.9 ptm -151.12 166.33 31.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.234 1.014 . . . . 0.0 112.209 163.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.02 170.86 44.03 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 123.175 0.417 . . . . 0.0 113.557 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -95.14 124.36 39.14 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.658 1.183 . . . . 0.0 110.557 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.64 150.34 26.32 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.74 1.216 . . . . 0.0 111.598 -175.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.0 mt -103.47 115.53 30.7 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.243 1.817 . . . . 0.0 106.801 166.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 84.3 mt -107.62 125.39 51.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.306 1.042 . . . . 0.0 108.659 -171.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.6 135.93 56.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 -156.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -99.58 155.4 17.61 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 126.451 1.9 . . . . 0.0 111.519 174.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -66.14 124.05 21.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.195 -0.94 . . . . 0.0 111.645 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 58.22 31.76 21.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.79 1.636 . . . . 0.0 113.811 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 58.9 tp -140.0 129.57 24.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.294 1.438 . . . . 0.0 111.284 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -69.78 139.32 53.24 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.476 1.111 . . . . 0.0 112.149 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 28.2 m -78.16 40.87 0.35 Allowed 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.637 1.975 . . . . 0.0 113.619 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . 0.33 20.5 ptt-85 49.99 -16.24 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.508 1 C-N-CA 133.873 4.869 . . . . 0.0 120.899 177.109 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -140.09 148.71 42.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 121.375 1.898 . . . . 0.0 111.916 175.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 49.6 tp -129.95 -28.51 2.18 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.186 1.794 . . . . 0.0 112.879 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.44 -0.963 0 C-N-CA 125.691 1.597 . . . . 0.0 113.241 -170.041 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo . . . . . 0 N--CA 1.48 0.694 0 N-CA-C 112.948 0.326 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.38 131.5 46.61 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.133 0.573 . . . . 0.0 112.106 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.85 147.8 50.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.49 1.916 . . . . 0.0 112.42 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.6 142.23 46.23 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 126.639 1.976 . . . . 0.0 110.162 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -88.09 108.4 19.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.217 1.407 . . . . 0.0 110.95 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.06 -35.87 15.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -172.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -95.34 -10.49 29.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 120.716 1.598 . . . . 0.0 114.661 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.54 49.88 2.87 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 115.733 1.053 . . . . 0.0 115.733 168.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -144.57 19.06 1.68 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.984 1.392 . . . . 0.0 114.028 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 170.83 45.62 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 125.67 1.605 . . . . 0.0 113.271 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.9 mm -76.47 132.84 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 121.175 -1.191 . . . . 0.0 110.82 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -119.82 144.45 47.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.014 1.726 . . . . 0.0 112.434 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -129.35 144.87 51.41 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.752 1.221 . . . . 0.0 112.015 168.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m -138.82 161.33 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 125.287 1.435 . . . . 0.0 111.495 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.8 149.13 40.94 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.235 1.014 . . . . 0.0 113.613 -174.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -74.17 134.74 42.79 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.323 1.049 . . . . 0.0 112.295 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -134.3 163.17 30.24 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.824 1.65 . . . . 0.0 111.974 -168.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.73 28.1 59.79 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.286 0.946 . . . . 0.0 114.701 174.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -128.51 133.22 48.38 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.087 1.355 . . . . 0.0 111.719 -166.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -137.64 104.19 5.25 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.284 1.434 . . . . 0.0 109.907 170.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.82 -10.43 72.17 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.804 1.192 . . . . 0.0 116.06 -169.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.2 p -52.92 -30.05 32.18 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 125.92 1.688 . . . . 0.0 114.335 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.9 tp -77.88 -19.26 55.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 125.694 1.598 . . . . 0.0 113.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -113.89 8.53 17.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.804 1.642 . . . . 0.0 113.466 -171.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.41 -20.81 61.04 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.173 1.789 . . . . 0.0 115.519 -164.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -82.93 -9.03 59.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.586 1.554 . . . . 0.0 114.987 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -81.78 129.43 34.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.983 1.265 . . . . 0.0 110.181 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -133.12 -3.06 3.14 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -120.65 -9.18 9.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.0 -179.95 52.82 Favored Glycine 0 CA--C 1.524 0.65 0 CA-C-N 119.539 1.063 . . . . 0.0 112.249 162.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tp -128.95 153.11 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 124.72 1.208 . . . . 0.0 112.062 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -147.73 175.84 10.59 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 127.695 2.398 . . . . 0.0 111.045 171.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -62.07 159.59 14.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.32 -51.62 7.27 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 121.457 -0.777 . . . . 0.0 112.701 170.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.4 p -142.54 -9.31 0.84 Allowed 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.07 140.56 3.86 Favored Glycine 0 N--CA 1.445 -0.702 0 O-C-N 120.601 -1.312 . . . . 0.0 113.817 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -118.28 172.8 7.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 127.336 2.254 . . . . 0.0 111.958 -167.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.22 125.06 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.601 1.56 . . . . 0.0 110.244 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 t -61.13 152.55 28.14 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.196 1.399 . . . . 0.0 112.177 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -10.92 12.48 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.56 -24.17 67.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 165.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -132.65 175.57 9.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.931 2.492 . . . . 0.0 112.054 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.03 151.4 23.29 Favored Glycine 0 N--CA 1.448 -0.528 0 O-C-N 121.284 -0.885 . . . . 0.0 115.111 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.39 137.16 33.55 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.2 1.4 . . . . 0.0 110.42 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.1 tp -74.9 129.35 37.52 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 123.846 0.859 . . . . 0.0 109.687 169.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 m -147.2 165.04 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 124.143 0.977 . . . . 0.0 113.541 -168.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -138.11 131.69 30.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.526 1.93 . . . . 0.0 109.381 166.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -85.03 89.58 7.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.448 -0.783 . . . . 0.0 110.093 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -77.28 0.18 23.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 125.711 1.604 . . . . 0.0 115.142 -168.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -125.17 -3.87 7.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.35 1.46 . . . . 0.0 114.613 167.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.07 18.53 76.53 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 115.765 1.066 . . . . 0.0 115.765 175.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -74.58 -3.76 32.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.499 1.65 . . . . 0.0 115.134 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 -6.69 59.1 Favored Glycine 0 C--N 1.342 0.898 0 C-N-CA 127.257 2.36 . . . . 0.0 115.398 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 pt -137.38 160.72 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 125.554 1.541 . . . . 0.0 112.562 -171.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.1 106.96 20.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 C-N-CA 124.35 1.06 . . . . 0.0 109.183 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.16 -13.66 1.83 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -169.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.62 153.82 22.34 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.693 1.197 . . . . 0.0 112.933 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.44 -30.28 75.87 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 115.898 1.119 . . . . 0.0 115.898 -176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.47 -2.36 57.14 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 119.052 1.426 . . . . 0.0 114.039 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -82.29 -23.45 35.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.601 1.091 . . . . 0.0 112.846 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.24 153.3 21.59 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 125.484 1.514 . . . . 0.0 110.065 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -85.48 115.02 22.96 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.642 -1.286 . . . . 0.0 111.199 172.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.39 -160.95 34.39 Favored Glycine 0 C--O 1.221 -0.687 0 C-N-CA 124.193 0.901 . . . . 0.0 113.902 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -71.23 -5.63 33.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -170.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -92.66 4.32 53.9 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.764 1.225 . . . . 0.0 112.54 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -92.67 141.57 28.33 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.151 1.38 . . . . 0.0 110.536 172.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.48 138.7 33.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.551 1.141 . . . . 0.0 112.636 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.36 176.88 9.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.08 2.152 . . . . 0.0 111.572 173.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.09 66.15 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -93.9 -0.19 55.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 121.111 1.778 . . . . 0.0 113.543 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.65 -4.14 68.85 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.439 1.971 . . . . 0.0 114.723 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -70.19 142.85 52.39 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 119.658 1.729 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -72.12 139.31 48.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.031 -1.043 . . . . 0.0 112.036 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.77 148.91 51.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.44 -32.49 62.65 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.405 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -159.99 165.71 31.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.097 1.359 . . . . 0.0 112.013 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.84 -32.38 79.24 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 125.906 1.717 . . . . 0.0 114.081 -174.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -70.38 -41.51 72.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.637 1.218 . . . . 0.0 111.839 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.43 86.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.113 0.869 . . . . 0.0 111.996 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.81 -35.97 81.29 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -80.77 -36.44 31.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.267 1.027 . . . . 0.0 113.028 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.56 -20.58 63.43 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.711 1.204 . . . . 0.0 114.168 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -51.81 -27.37 12.2 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.939 1.296 . . . . 0.0 113.747 168.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.6 -2.74 40.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.636 1.574 . . . . 0.0 114.422 -169.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.34 115.59 11.77 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 121.204 1.82 . . . . 0.0 110.021 168.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.9 m -80.52 -18.91 47.07 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 113.406 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.28 -21.86 11.66 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -161.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.2 39.17 37.57 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 119.097 0.862 . . . . 0.0 113.676 -169.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -116.26 6.63 13.85 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.408 1.483 . . . . 0.0 114.225 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 60.43 17.59 7.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.924 2.09 . . . . 0.0 114.573 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.7 pt -131.95 151.1 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.629 1.171 . . . . 0.0 112.808 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.33 115.85 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.695 1.598 . . . . 0.0 108.331 167.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -151.06 173.23 14.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.288 1.835 . . . . 0.0 111.255 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.69 10.79 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -175.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.1 -22.47 63.02 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 120.914 -1.116 . . . . 0.0 113.766 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -77.38 135.56 38.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.698 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.56 66.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.892 1.277 . . . . 0.0 113.704 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.34 -15.94 48.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.46 -35.31 65.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -161.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -82.25 -2.19 51.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.4 p -79.71 -23.68 42.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 120.928 -1.108 . . . . 0.0 113.858 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.03 142.45 52.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.903 1.281 . . . . 0.0 112.209 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -141.35 172.08 13.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.896 2.078 . . . . 0.0 110.441 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.74 140.3 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.12 1.768 . . . . 0.0 110.321 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -116.61 121.01 40.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.454 1.502 . . . . 0.0 110.952 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -117.06 101.92 8.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.914 1.686 . . . . 0.0 109.93 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -77.16 122.57 25.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 118.521 0.601 . . . . 0.0 111.199 -174.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.2 mt -89.08 -17.05 30.07 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -168.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -113.67 -4.42 13.44 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.525 1.53 . . . . 0.0 114.314 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 56.73 48.34 16.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.707 2.003 . . . . 0.0 113.942 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -96.16 -15.56 22.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.665 -1.272 . . . . 0.0 113.908 165.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.76 69.95 Favored Glycine 0 N--CA 1.449 -0.473 0 O-C-N 121.479 -0.763 . . . . 0.0 112.489 -173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.2 mt -121.03 116.11 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.718 1.607 . . . . 0.0 106.982 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -83.23 140.39 32.56 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -164.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -128.46 154.03 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.292 2.237 . . . . 0.0 109.852 167.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.09 72.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -67.36 -12.21 59.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -90.75 -5.93 55.05 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.322 1.449 . . . . 0.0 113.344 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.68 154.07 19.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -142.17 155.76 45.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.611 1.964 . . . . 0.0 110.944 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 59.4 p -80.05 161.56 25.32 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.456 1.502 . . . . 0.0 111.857 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.71 -35.61 72.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.015 0.526 . . . . 0.0 111.448 171.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.69 -44.52 96.04 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.235 1.014 . . . . 0.0 113.19 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.91 -16.9 62.13 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.605 -1.31 . . . . 0.0 114.246 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -94.15 -10.69 32.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.831 1.653 . . . . 0.0 113.151 173.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.8 32.68 56.77 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.2 0.905 . . . . 0.0 114.6 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.7 mt -87.1 128.13 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 124.622 1.169 . . . . 0.0 109.942 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -101.12 -46.03 5.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.154 1.381 . . . . 0.0 112.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.4 p -161.03 161.98 31.6 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.726 0.811 . . . . 0.0 112.589 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mp -119.25 138.15 53.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.934 1.693 . . . . 0.0 109.658 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.61 150.45 24.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -102.0 -3.76 27.18 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -94.23 148.3 22.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.501 1.12 . . . . 0.0 112.283 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.85 169.41 20.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -170.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -132.4 143.05 49.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.795 2.438 . . . . 0.0 110.953 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -74.99 127.86 34.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.259 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.0 p -141.96 -24.91 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 54.09 38.38 28.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 165.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -70.88 127.87 34.09 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.715 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -74.4 124.61 26.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.803 0.841 . . . . 0.0 109.262 165.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.6 mt -111.65 12.44 21.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.88 170.16 28.84 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-O 122.191 0.884 . . . . 0.0 113.921 -174.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 51.16 28.05 3.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.45 1.9 . . . . 0.0 114.512 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.85 1.84 85.11 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.476 1.512 . . . . 0.0 115.549 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -87.54 147.17 25.46 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.039 1.419 . . . . 0.0 111.733 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 61.0 m -142.0 129.51 21.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.83 1.252 . . . . 0.0 110.744 -174.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.2 tt -95.54 113.55 25.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.282 1.033 . . . . 0.0 109.331 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.53 -55.72 4.99 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.665 0.786 . . . . 0.0 112.334 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -131.69 144.79 51.26 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.181 1.393 . . . . 0.0 111.675 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.87 149.75 52.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.196 0.999 . . . . 0.0 112.566 -171.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.06 -162.09 11.49 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 126.571 2.034 . . . . 0.0 112.582 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 77.9 p -112.42 159.28 18.89 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -138.35 160.11 40.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.736 1.614 . . . . 0.0 110.602 162.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.7 m -118.92 143.69 46.86 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 125.708 1.603 . . . . 0.0 111.073 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -101.98 167.8 9.81 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.285 1.834 . . . . 0.0 112.436 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.1 p -67.19 -22.62 65.72 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -78.98 -0.05 29.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 167.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.61 87.98 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 125.617 1.579 . . . . 0.0 115.937 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 56.3 p -72.87 156.11 39.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 119.567 1.683 . . . . 0.0 112.03 172.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 20.5 p -116.95 154.45 30.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 122.069 0.938 . . . . 0.0 113.122 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.15 172.8 12.89 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.152 2.181 . . . . 0.0 110.853 -165.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -100.19 146.26 27.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.083 1.353 . . . . 0.0 113.684 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.7 ptm -146.8 163.15 36.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 125.411 1.484 . . . . 0.0 110.868 168.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.35 170.29 42.5 Favored Glycine 0 C--N 1.331 0.267 0 O-C-N 121.182 -0.949 . . . . 0.0 114.271 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -98.18 132.61 43.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.428 1.091 . . . . 0.0 111.67 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.25 136.04 50.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.202 1.001 . . . . 0.0 111.743 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 80.4 mt -84.28 109.01 17.46 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.469 1.507 . . . . 0.0 107.184 156.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 78.8 mt -89.42 140.88 29.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.802 0.841 . . . . 0.0 110.781 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -80.03 116.06 19.95 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 163.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -140.83 133.68 29.03 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -166.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -102.83 144.29 31.34 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.499 1.519 . . . . 0.0 112.146 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -94.89 -9.31 34.63 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.004 0.922 . . . . 0.0 112.598 169.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 51.0 mt -107.1 156.22 19.01 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.676 1.59 . . . . 0.0 110.713 174.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -107.27 -34.03 7.23 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 9.7 t -120.97 -30.26 4.42 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.091 1.757 . . . . 0.0 112.727 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -90.22 119.34 30.45 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.562 1.545 . . . . 0.0 111.829 -174.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -90.92 -40.12 11.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.026 1.33 . . . . 0.0 111.186 170.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 95.3 mt -132.13 149.43 52.4 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.596 2.358 . . . . 0.0 110.674 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 126.601 1.961 . . . . 0.0 113.685 -178.147 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.336 0 N-CA-C 113.262 0.447 . . . . 0.0 113.262 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.29 133.11 47.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.52 154.15 49.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.515 1.926 . . . . 0.0 112.871 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -119.87 138.33 53.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.365 1.866 . . . . 0.0 110.636 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -78.96 115.11 18.44 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.214 1.006 . . . . 0.0 110.159 167.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.17 -33.85 18.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -105.78 -16.96 14.53 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.615 1.566 . . . . 0.0 113.803 -175.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 48.33 2.91 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 120.134 1.334 . . . . 0.0 115.221 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -137.88 9.31 2.81 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 155.74 11.17 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 125.817 1.675 . . . . 0.0 113.064 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.9 mt -77.79 109.1 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.68 139.17 31.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.249 1.02 . . . . 0.0 112.386 -171.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -133.55 164.44 27.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.981 1.312 . . . . 0.0 112.928 -173.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.21 164.47 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.462 1.505 . . . . 0.0 110.508 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.13 -36.61 3.55 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.832 1.253 . . . . 0.0 113.122 169.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.6 p -65.24 156.27 32.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 172.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -129.77 142.52 50.68 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.877 1.671 . . . . 0.0 110.89 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.13 177.36 12.22 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.26 0.457 . . . . 0.0 114.07 -172.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -52.38 108.82 0.33 Allowed 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.304 1.041 . . . . 0.0 113.397 -168.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.9 m 50.71 12.88 0.11 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.457 2.303 . . . . 0.0 117.099 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.78 11.87 66.7 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 124.898 1.237 . . . . 0.0 115.514 -169.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 m -79.23 -18.38 52.97 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -162.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.34 151.16 40.14 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.856 2.062 . . . . 0.0 110.408 173.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -102.19 156.18 17.73 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 124.91 1.284 . . . . 0.0 111.472 165.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -81.76 131.79 35.27 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.672 1.189 . . . . 0.0 110.198 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -73.52 -16.66 61.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -72.99 140.09 47.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.527 1.058 . . . . 0.0 111.19 174.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -48.55 -52.17 24.04 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 126.068 1.747 . . . . 0.0 114.5 -170.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.23 18.54 12.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.852 1.261 . . . . 0.0 114.203 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.57 -176.04 50.72 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 125.142 1.353 . . . . 0.0 114.752 172.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.8 pt -62.36 133.07 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.296 1.038 . . . . 0.0 112.57 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -153.88 -18.02 0.14 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -170.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.8 p -140.03 145.21 37.46 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 124.306 1.042 . . . . 0.0 112.522 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.42 50.33 1.95 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.104 1.762 . . . . 0.0 112.798 -172.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 p -80.0 150.98 30.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.021 0.928 . . . . 0.0 111.84 176.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA3' ' H ' ' A' ' 169' ' ' ALA . . . -68.67 151.0 51.24 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 116.054 1.182 . . . . 0.0 116.054 -167.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -154.04 172.37 17.59 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.627 1.171 . . . . 0.0 111.815 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.42 136.62 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 124.52 1.128 . . . . 0.0 110.052 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -58.71 153.11 17.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.849 -1.157 . . . . 0.0 111.813 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.28 -11.9 4.77 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.62 -41.84 87.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.128 1.371 . . . . 0.0 113.161 170.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -117.26 -169.93 1.75 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.073 2.149 . . . . 0.0 112.61 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.09 159.35 28.3 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -92.11 139.2 30.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 127.238 2.215 . . . . 0.0 110.162 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.6 tp -75.35 135.46 40.85 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 121.189 -0.945 . . . . 0.0 110.778 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.32 159.26 15.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 125.015 1.326 . . . . 0.0 113.368 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -145.85 131.52 18.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 126.22 1.808 . . . . 0.0 109.837 169.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.94 130.95 35.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 118.911 0.778 . . . . 0.0 112.418 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.16 -6.95 22.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.586 1.555 . . . . 0.0 114.339 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -136.84 -5.37 1.93 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.91 22.26 69.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-O 118.575 -1.125 . . . . 0.0 115.805 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -91.34 5.57 48.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.15 74.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.9 pt -129.68 144.46 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 126.458 1.903 . . . . 0.0 110.356 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -82.14 110.31 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 170.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -146.98 -20.07 0.4 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.426 1.491 . . . . 0.0 114.966 -172.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -85.55 9.04 17.08 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.759 -1.213 . . . . 0.0 114.261 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.88 -66.68 1.75 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 125.611 1.577 . . . . 0.0 114.407 173.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 7.54 0.68 Allowed 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.101 1.76 . . . . 0.0 114.817 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -72.11 -23.6 61.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 125.826 1.651 . . . . 0.0 111.633 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.62 157.41 28.7 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.539 1.936 . . . . 0.0 110.195 163.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 88.5 m-85 -96.79 106.9 19.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.844 -1.16 . . . . 0.0 111.031 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.21 -161.68 24.61 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 125.337 1.446 . . . . 0.0 113.482 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -70.01 -13.52 62.27 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -171.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.11 -8.38 56.88 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 120.834 -1.166 . . . . 0.0 113.729 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -78.02 140.82 39.17 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 120.181 1.355 . . . . 0.0 112.647 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.0 142.86 27.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.569 1.147 . . . . 0.0 112.141 167.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.27 179.38 6.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 126.772 2.029 . . . . 0.0 110.889 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.41 41.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 116.62 2.081 . . . . 0.0 116.62 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 p30 -91.58 -5.76 53.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.574 1.079 . . . . 0.0 113.856 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.35 77.48 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.159 1.361 . . . . 0.0 115.79 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.2 p -72.75 152.22 41.73 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 119.017 1.408 . . . . 0.0 111.273 167.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -77.47 145.97 36.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 120.814 -1.179 . . . . 0.0 112.341 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 152.18 43.88 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.017 1.727 . . . . 0.0 112.007 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -76.53 -39.78 51.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 123.919 0.888 . . . . 0.0 112.383 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -159.04 168.45 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.692 1.597 . . . . 0.0 112.43 -167.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.8 -31.86 81.75 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.027 1.299 . . . . 0.0 114.352 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -70.22 -32.02 69.7 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.27 1.535 . . . . 0.0 112.83 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.55 -40.5 66.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 118.723 0.692 . . . . 0.0 111.924 170.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.6 99.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.274 1.03 . . . . 0.0 112.753 176.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.61 -33.38 64.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.687 0.795 . . . . 0.0 112.716 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -21.26 65.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.97 -15.98 47.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -96.9 -5.29 38.42 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.392 1.477 . . . . 0.0 114.893 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -74.96 110.76 9.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 119.354 0.979 . . . . 0.0 110.275 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.8 p -77.75 -36.81 50.29 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -168.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -107.34 -17.6 14.09 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -168.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.13 14.31 54.67 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.4 p30 -74.86 -7.29 53.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.267 1.533 . . . . 0.0 113.379 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.279 8.6 t30 57.25 36.74 27.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.706 2.402 . . . . 0.0 115.714 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.1 pt -131.89 155.68 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.757 1.623 . . . . 0.0 110.311 160.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.7 mm -100.94 112.35 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -142.82 170.37 15.82 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.709 1.604 . . . . 0.0 111.303 -171.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.87 -15.56 55.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.73 57.54 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 120.044 1.293 . . . . 0.0 113.556 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -67.78 125.89 27.68 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 119.828 1.195 . . . . 0.0 112.131 171.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.71 69.41 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -170.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -17.45 62.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.53 -27.21 66.0 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.451 -1.405 . . . . 0.0 114.165 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -75.6 -24.65 56.56 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.749 -1.22 . . . . 0.0 113.866 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.4 m -88.3 -13.81 39.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.816 1.246 . . . . 0.0 114.021 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.57 144.24 57.35 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 119.591 1.087 . . . . 0.0 111.5 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -141.17 166.0 25.99 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 127.283 2.233 . . . . 0.0 110.128 171.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.44 124.33 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 124.525 1.13 . . . . 0.0 109.125 171.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -95.3 120.93 36.38 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.669 1.187 . . . . 0.0 110.912 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.81 97.7 6.41 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.757 1.623 . . . . 0.0 108.206 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -81.63 114.79 20.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.291 0.567 . . . . 0.0 110.298 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.05 -4.43 41.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.569 1.147 . . . . 0.0 113.463 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -113.49 -13.04 12.85 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.458 1.903 . . . . 0.0 113.106 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 52.13 23.79 2.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.159 1.784 . . . . 0.0 114.268 -159.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -81.02 -29.75 35.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.629 -1.294 . . . . 0.0 113.835 -172.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.69 20.54 47.1 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-O 118.409 -1.217 . . . . 0.0 113.941 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.15 112.07 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.787 1.635 . . . . 0.0 107.07 167.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.7 p -80.53 148.91 30.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.606 1.548 . . . . 0.0 113.708 -172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -128.39 158.25 38.78 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.835 1.654 . . . . 0.0 111.028 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.29 71.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -77.33 -8.79 58.23 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.619 1.968 . . . . 0.0 114.481 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -91.85 -19.46 22.49 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.321 1.448 . . . . 0.0 112.977 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.65 111.02 23.34 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.094 1.358 . . . . 0.0 109.461 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -108.27 157.17 18.58 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.765 2.026 . . . . 0.0 112.443 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 71.3 p -82.83 163.34 21.25 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.29 -39.27 78.42 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.304 0.642 . . . . 0.0 111.81 169.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.46 -29.39 64.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.74 -18.81 56.13 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.619 1.1 . . . . 0.0 113.346 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.2 mt -90.57 -0.07 57.54 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.367 1.467 . . . . 0.0 112.67 168.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.06 23.71 76.97 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.736 1.16 . . . . 0.0 114.414 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.4 mt -81.43 133.99 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 119.441 1.62 . . . . 0.0 110.917 -172.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -108.44 -42.09 4.67 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.436 1.494 . . . . 0.0 112.929 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.7 p -158.23 163.36 37.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 119.115 0.871 . . . . 0.0 112.718 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.66 136.24 54.02 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 125.754 1.622 . . . . 0.0 108.782 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -86.61 142.05 28.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.093 0.957 . . . . 0.0 111.267 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -94.18 -7.58 41.86 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.72 143.42 36.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.397 0.999 . . . . 0.0 111.77 170.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -150.05 169.77 20.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.553 1.141 . . . . 0.0 112.512 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -113.07 138.9 49.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.642 1.977 . . . . 0.0 108.929 164.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.16 124.92 28.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 165.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.55 -26.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 45.94 41.71 8.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.658 1.983 . . . . 0.0 114.969 170.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -75.74 128.31 34.91 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.836 1.654 . . . . 0.0 111.41 -174.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.99 144.21 48.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.67 0.788 . . . . 0.0 110.645 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 68.0 mt -115.75 4.85 14.07 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.02 1.328 . . . . 0.0 113.568 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 73.44 13.99 79.67 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 125.893 1.711 . . . . 0.0 116.649 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -141.61 2.39 1.61 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -174.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.44 31.78 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 125.691 1.615 . . . . 0.0 114.856 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -89.4 154.12 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.345 1.572 . . . . 0.0 112.053 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.5 m -134.16 129.41 35.81 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.39 1.076 . . . . 0.0 110.297 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.97 101.61 13.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.048 0.939 . . . . 0.0 109.453 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.97 -52.38 13.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.954 0.901 . . . . 0.0 112.764 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -133.82 137.3 45.0 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.925 1.69 . . . . 0.0 109.999 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -130.59 138.18 50.01 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.28 1.032 . . . . 0.0 112.581 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.43 -154.35 6.16 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 126.946 2.213 . . . . 0.0 111.324 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.1 m -131.54 161.39 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.953 0.901 . . . . 0.0 113.217 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.38 159.48 30.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.067 1.747 . . . . 0.0 109.838 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.0 m -112.42 132.71 54.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.839 1.256 . . . . 0.0 111.161 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.56 160.42 15.42 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.515 1.526 . . . . 0.0 112.115 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -63.05 -16.35 59.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -77.9 -2.28 35.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 169.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.24 -3.88 86.47 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.244 1.878 . . . . 0.0 115.256 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 18.8 m -85.97 152.5 22.88 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.52 1.528 . . . . 0.0 110.938 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.2 p -111.77 140.45 46.4 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.952 1.301 . . . . 0.0 112.943 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -131.89 161.54 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.361 1.864 . . . . 0.0 110.96 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.3 141.52 33.99 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.394 1.078 . . . . 0.0 113.144 -167.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -145.98 163.65 34.52 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.722 0.809 . . . . 0.0 111.643 167.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.97 178.79 48.91 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 121.223 -0.513 . . . . 0.0 114.258 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.48 121.16 41.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.08 1.352 . . . . 0.0 110.847 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.6 123.67 46.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.369 1.468 . . . . 0.0 111.493 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.2 mt -78.48 125.94 30.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 159.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.2 mt -91.99 140.88 29.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.511 0.724 . . . . 0.0 111.65 -169.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.402 ' H ' ' HA3' ' A' ' 36' ' ' GLY . . . -56.97 156.57 6.66 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.705 1.602 . . . . 0.0 115.174 -176.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -111.63 153.64 26.05 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.623 1.569 . . . . 0.0 112.001 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.09 155.34 32.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.393 1.077 . . . . 0.0 112.245 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -76.88 -15.54 59.66 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 44.7 mt 62.17 24.86 14.84 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 127.103 2.161 . . . . 0.0 115.701 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.87 139.52 37.39 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.477 1.111 . . . . 0.0 109.705 166.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 80.0 p -70.92 -33.32 70.41 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.43 -0.794 . . . . 0.0 112.863 174.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 82.4 mtm-85 57.83 22.27 8.41 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 127.158 2.183 . . . . 0.0 115.569 -168.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 61.6 -25.62 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 119.715 3.228 . . . . 0.0 119.715 167.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 86.0 mt -124.6 7.95 8.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.942 2.097 . . . . 0.0 113.934 -168.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 C--O 1.256 1.438 0 C-N-CA 127.407 2.283 . . . . 0.0 111.484 -174.2 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.286 0 CA-C-O 118.876 -0.552 . . . . 0.0 112.387 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.27 127.14 30.04 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 119.183 0.901 . . . . 0.0 112.366 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.43 149.06 52.28 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.875 2.47 . . . . 0.0 111.888 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -119.46 138.63 53.01 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.521 1.928 . . . . 0.0 110.867 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 10' ' ' GLY . 17.7 t0 -81.39 98.86 8.4 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 109.652 166.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.85 -30.8 17.67 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -170.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -96.97 -10.88 25.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.87 44.97 3.74 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 164.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -142.95 17.62 1.95 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' H ' ' CG ' ' A' ' 5' ' ' ASP . . . 110.29 158.61 16.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 126.93 2.205 . . . . 0.0 114.715 176.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -72.79 126.45 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -147.36 158.34 43.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.263 1.025 . . . . 0.0 113.12 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 p -143.33 165.11 28.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -111.36 151.08 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 126.024 1.73 . . . . 0.0 112.1 172.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.99 168.28 18.01 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 125.161 1.385 . . . . 0.0 113.821 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 t -148.58 1.61 0.6 Allowed 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 51.28 54.11 11.72 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.219 1.808 . . . . 0.0 112.752 -170.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.4 167.64 40.39 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 126.827 2.156 . . . . 0.0 111.125 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -135.46 -4.63 2.31 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.279 1.432 . . . . 0.0 113.746 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -61.34 124.28 20.15 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 119.176 0.898 . . . . 0.0 111.415 -172.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.18 0.43 70.72 Favored Glycine 0 C--N 1.346 1.104 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 -176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.1 t -102.68 -40.02 6.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.219 1.408 . . . . 0.0 111.385 163.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 mt -98.01 -162.13 0.93 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.76 1.624 . . . . 0.0 109.698 163.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -133.11 -52.18 0.9 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -166.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -73.82 -37.7 64.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -164.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -95.95 9.03 42.02 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.276 1.43 . . . . 0.0 113.563 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -66.48 154.21 40.87 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.599 1.16 . . . . 0.0 112.712 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -106.87 171.13 7.53 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.753 1.621 . . . . 0.0 111.725 165.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.1 156.51 17.64 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 124.334 1.054 . . . . 0.0 111.569 165.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.4 168.93 22.85 Favored Glycine 0 C--N 1.342 0.897 0 C-N-CA 125.659 1.6 . . . . 0.0 114.801 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.0 mt -65.02 137.3 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 C-N-CA 125.721 1.608 . . . . 0.0 110.781 -175.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -63.97 153.03 38.41 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 p -124.17 -11.25 7.53 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 126.609 1.964 . . . . 0.0 114.085 173.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.8 145.15 44.18 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 125.3 1.44 . . . . 0.0 109.759 161.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -127.47 116.46 20.45 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.478 0.711 . . . . 0.0 111.961 -165.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.29 135.41 13.44 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 155.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -149.7 169.1 21.8 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 117.908 0.854 . . . . 0.0 112.231 -168.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.0 153.73 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 124.544 1.138 . . . . 0.0 112.631 166.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.84 151.72 10.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.909 -0.494 . . . . 0.0 111.994 166.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.21 66.0 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.129 -0.982 . . . . 0.0 113.178 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -81.53 -2.24 49.13 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -106.98 -170.87 1.78 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.722 2.009 . . . . 0.0 111.145 166.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.82 164.91 37.71 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 115.492 0.957 . . . . 0.0 115.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.78 140.8 35.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.173 1.389 . . . . 0.0 111.033 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.25 128.63 34.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.381 0.672 . . . . 0.0 110.183 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.09 167.35 4.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 124.585 1.154 . . . . 0.0 113.567 -170.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.93 146.22 22.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.207 1.803 . . . . 0.0 111.039 166.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -77.66 130.6 37.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.431 0.692 . . . . 0.0 111.481 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.21 -7.56 18.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.022 1.729 . . . . 0.0 114.783 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.26 10.48 4.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -172.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.08 18.28 78.76 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 116.817 1.487 . . . . 0.0 116.817 170.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -99.83 -1.11 38.35 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.01 -5.22 50.55 Favored Glycine 0 C--O 1.222 -0.596 0 C-N-CA 126.48 1.991 . . . . 0.0 116.965 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 pt -123.03 165.7 18.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 C-N-CA 125.439 1.495 . . . . 0.0 111.609 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.58 120.1 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.686 1.195 . . . . 0.0 109.944 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -151.44 -20.74 0.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -97.94 148.4 23.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.85 1.205 . . . . 0.0 111.232 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.89 -28.98 69.38 Favored Glycine 0 C--N 1.339 0.728 0 O-C-N 120.705 -1.247 . . . . 0.0 115.024 -173.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.97 -8.12 59.17 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.32 -21.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.665 1.186 . . . . 0.0 113.201 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.6 mt -76.72 154.53 34.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.092 1.357 . . . . 0.0 109.611 161.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.4 m-85 -88.76 112.21 22.91 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.452 -1.405 . . . . 0.0 110.906 174.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.24 -165.74 32.97 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.937 1.256 . . . . 0.0 112.279 -175.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -78.55 17.44 0.68 Allowed 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -105.11 -10.89 16.86 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.127 1.371 . . . . 0.0 112.546 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 m -71.95 136.92 47.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.542 1.537 . . . . 0.0 110.352 169.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -88.77 144.65 26.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.611 1.164 . . . . 0.0 111.917 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.74 169.64 17.46 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.842 2.057 . . . . 0.0 109.708 164.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -24.2 66.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.72 -9.58 59.79 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.78 -7.7 63.21 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.79 1.662 . . . . 0.0 116.707 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.9 p -75.55 159.44 31.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 119.362 1.581 . . . . 0.0 112.254 168.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -78.67 148.7 33.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.591 -1.318 . . . . 0.0 112.667 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 151.11 47.45 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.681 1.193 . . . . 0.0 111.977 170.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -69.02 -35.58 76.8 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 177.62 9.31 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.357 1.863 . . . . 0.0 111.566 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.97 90.5 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 125.403 1.478 . . . . 0.0 115.472 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 119.602 1.701 . . . . 0.0 113.372 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.39 -35.45 54.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.813 -1.18 . . . . 0.0 112.402 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.4 84.25 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.757 1.223 . . . . 0.0 113.587 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.95 -33.31 45.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.956 0.902 . . . . 0.0 112.411 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -21.94 66.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -58.52 -18.91 33.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.817 1.247 . . . . 0.0 114.204 171.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.85 -2.18 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.14 118.6 19.05 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 119.936 1.244 . . . . 0.0 110.465 172.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.7 p -89.67 -25.65 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -168.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -111.11 -17.83 13.15 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.39 1.476 . . . . 0.0 113.565 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.56 27.47 38.92 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 118.997 0.817 . . . . 0.0 114.173 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -80.31 -1.04 39.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.345 1.572 . . . . 0.0 113.76 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.41 18.41 5.54 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.057 2.143 . . . . 0.0 114.316 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -130.97 152.57 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 124.721 1.208 . . . . 0.0 112.329 168.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -99.07 114.35 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 C-N-CA 124.682 1.193 . . . . 0.0 108.277 170.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -147.04 172.33 13.91 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.385 1.474 . . . . 0.0 111.446 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 -167.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.01 60.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.8 132.42 35.28 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.921 1.288 . . . . 0.0 111.783 166.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.64 67.39 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -171.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.23 -19.19 51.3 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.38 -44.18 79.93 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 120.232 1.378 . . . . 0.0 114.266 -168.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -78.9 -8.64 59.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 120.75 -1.219 . . . . 0.0 113.557 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -91.04 -25.83 19.48 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.594 1.557 . . . . 0.0 113.143 170.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.0 153.61 29.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.163 0.892 . . . . 0.0 111.253 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -134.24 163.02 30.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.581 1.552 . . . . 0.0 109.265 172.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.3 t -117.83 130.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -105.04 122.43 45.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.05 1.34 . . . . 0.0 110.266 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.86 98.26 6.73 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.151 1.38 . . . . 0.0 108.632 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.38 100.12 7.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.808 0.813 . . . . 0.0 110.043 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.99 -18.1 64.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.52 5.56 18.02 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 170.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 55.46 29.14 12.73 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 127.784 2.434 . . . . 0.0 115.652 169.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -93.74 -16.5 24.15 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 120.936 -1.103 . . . . 0.0 113.571 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.69 17.45 72.99 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.525 1.057 . . . . 0.0 114.309 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.63 129.92 57.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 118.794 1.297 . . . . 0.0 107.532 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -96.73 138.82 33.71 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.224 -0.922 . . . . 0.0 113.249 -164.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -141.2 151.2 43.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.512 1.525 . . . . 0.0 111.008 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -34.08 72.39 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -58.0 -23.58 54.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -94.22 -4.58 48.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.441 1.496 . . . . 0.0 113.127 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -98.87 151.82 20.42 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.323 1.449 . . . . 0.0 112.292 -177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.24 150.55 42.78 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 126.143 1.777 . . . . 0.0 111.39 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -77.51 156.68 30.84 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.886 1.674 . . . . 0.0 111.742 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.32 -36.73 85.07 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 121.582 -0.699 . . . . 0.0 111.925 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.99 -37.25 86.71 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.83 -30.36 70.97 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -87.43 -5.08 58.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.89 24.32 67.18 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.535 1.061 . . . . 0.0 115.102 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.36 128.66 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.745 1.218 . . . . 0.0 109.925 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.6 -47.22 7.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.467 1.507 . . . . 0.0 111.555 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 70.9 p -162.18 164.34 27.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.203 1.001 . . . . 0.0 113.039 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.58 138.06 51.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.517 1.927 . . . . 0.0 110.627 173.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.38 143.64 44.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.155 0.889 . . . . 0.0 112.469 170.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -97.91 -2.72 40.05 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.586 1.154 . . . . 0.0 113.406 162.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.78 139.73 38.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.072 0.949 . . . . 0.0 111.159 167.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -155.22 163.73 39.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.599 1.16 . . . . 0.0 112.824 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.56 140.3 47.43 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.47 2.308 . . . . 0.0 110.486 166.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -75.0 114.36 13.38 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 118.767 0.712 . . . . 0.0 110.284 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.41 -25.52 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 C-N-CA 124.5 1.12 . . . . 0.0 113.589 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.4 m120 48.86 39.65 14.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.517 1.927 . . . . 0.0 115.486 167.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -81.54 115.68 20.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.629 1.172 . . . . 0.0 110.787 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -73.37 121.55 20.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 159.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.14 -9.79 59.0 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 87.73 17.17 58.72 Favored Glycine 0 C--O 1.218 -0.874 0 C-N-CA 125.182 1.373 . . . . 0.0 114.233 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -140.87 7.24 2.05 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.36 1.464 . . . . 0.0 114.768 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.22 -26.15 19.69 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.12 1.819 . . . . 0.0 114.532 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.01 159.9 15.89 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 119.741 1.77 . . . . 0.0 112.367 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.5 m -139.34 134.01 31.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.127 -0.983 . . . . 0.0 111.627 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.7 tp -108.76 107.8 18.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.61 1.164 . . . . 0.0 109.717 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.82 -48.89 8.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.11 146.92 50.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.51 1.524 . . . . 0.0 110.708 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -138.44 135.08 34.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.64 0.776 . . . . 0.0 113.006 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.39 -148.85 5.48 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.909 2.671 . . . . 0.0 110.882 170.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.3 p -141.05 168.06 20.69 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.037 0.922 . . . . 0.0 113.303 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -135.86 159.2 42.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 126.28 1.832 . . . . 0.0 110.765 171.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.5 m -116.14 134.85 54.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -102.14 158.39 16.2 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 111.97 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.1 p -66.3 -25.78 67.01 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -82.75 24.95 0.69 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.836 1.654 . . . . 0.0 114.197 172.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.3 -8.12 54.2 Favored Glycine 0 C--N 1.341 0.852 0 N-CA-C 117.056 1.582 . . . . 0.0 117.056 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 58.8 p -83.36 155.43 23.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 119.952 1.876 . . . . 0.0 112.431 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.9 p -120.31 150.15 41.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.877 0.871 . . . . 0.0 111.481 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.72 162.37 36.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.722 1.209 . . . . 0.0 111.881 -173.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.17 140.15 37.82 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.126 0.97 . . . . 0.0 113.312 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -143.78 159.81 41.85 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.033 0.933 . . . . 0.0 111.206 166.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -173.11 168.17 41.11 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 114.257 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -88.14 104.92 17.14 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.424 1.089 . . . . 0.0 110.65 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -108.76 112.2 24.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.77 2.028 . . . . 0.0 109.035 -170.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.1 mt -81.32 124.12 29.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.978 1.311 . . . . 0.0 109.824 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 50.2 mt -98.63 131.06 45.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.694 1.597 . . . . 0.0 109.855 -166.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -76.9 145.31 38.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 121.735 -0.603 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -145.48 167.78 22.16 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.483 1.113 . . . . 0.0 111.415 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -58.62 128.89 39.43 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.675 1.19 . . . . 0.0 112.572 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -78.54 174.69 11.08 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.672 0.789 . . . . 0.0 110.183 165.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 41.2 tp -69.73 -34.07 73.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -163.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -85.92 122.76 30.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.375 0.989 . . . . 0.0 113.612 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 70.8 m 50.39 29.07 3.62 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 127.519 2.328 . . . . 0.0 117.228 169.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 61.16 -43.67 0.12 Allowed 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 130.118 3.367 . . . . 0.0 116.381 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -121.07 142.7 49.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.629 1.572 . . . . 0.0 111.692 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.56 166.16 21.18 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.293 1.437 . . . . 0.0 111.55 167.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.638 1.575 . . . . 0.0 114.352 -172.621 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.472 0.21 0 N-CA-C 112.653 0.213 . . . . 0.0 112.653 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.38 122.1 15.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.79 150.86 38.44 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.102 2.161 . . . . 0.0 111.158 170.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.88 138.94 51.18 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.533 1.533 . . . . 0.0 110.203 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -79.07 107.11 11.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.001 0.92 . . . . 0.0 109.555 168.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.73 -24.11 31.31 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -113.91 -8.32 13.13 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.56 40.8 4.94 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 120.256 1.389 . . . . 0.0 115.333 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -136.3 23.39 3.23 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.976 1.388 . . . . 0.0 114.409 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.4 171.68 48.36 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.504 2.002 . . . . 0.0 113.165 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -91.91 118.89 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 118.517 1.159 . . . . 0.0 109.391 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -88.5 140.28 29.62 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.331 1.052 . . . . 0.0 111.993 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.9 p -126.08 152.71 45.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.802 1.241 . . . . 0.0 112.323 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -145.37 168.45 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 C-N-CA 127.339 2.256 . . . . 0.0 111.106 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.61 153.12 40.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.105 -0.997 . . . . 0.0 111.809 167.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -129.21 156.18 44.36 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.684 1.194 . . . . 0.0 112.111 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -97.76 -8.56 28.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.62 1.968 . . . . 0.0 111.625 169.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' HA3' ' HA3' ' A' ' 112' ' ' GLY . . . -73.04 166.56 54.51 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 125.568 1.556 . . . . 0.0 113.92 173.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 51.43 32.26 8.41 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 125.686 1.594 . . . . 0.0 114.437 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -129.58 -12.27 4.39 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 127.601 2.361 . . . . 0.0 113.268 -169.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.16 15.87 3.09 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 126.323 1.916 . . . . 0.0 117.029 -167.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.6 p -135.25 -9.61 2.24 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 tp -116.06 -33.94 4.89 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 119.71 1.141 . . . . 0.0 113.334 169.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -107.59 15.31 24.87 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -68.48 -10.37 55.05 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.62 1.168 . . . . 0.0 113.021 166.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -139.99 162.87 34.16 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.417 2.287 . . . . 0.0 111.401 163.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 m120 48.09 47.97 18.7 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.475 1.51 . . . . 0.0 112.018 -176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -67.71 -10.83 55.88 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.203 1.801 . . . . 0.0 114.572 -163.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -54.71 -24.51 22.44 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.825 1.65 . . . . 0.0 112.938 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.02 -13.76 49.81 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 115.798 1.079 . . . . 0.0 115.798 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.6 mt -63.38 -24.13 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.065 1.433 . . . . 0.0 112.114 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -61.64 -18.14 58.27 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 177.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.2 p -112.81 0.09 15.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.432 1.493 . . . . 0.0 113.629 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.8 164.06 26.98 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.754 1.222 . . . . 0.0 113.029 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 m -69.75 143.51 53.01 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 121.327 -0.858 . . . . 0.0 112.138 177.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.34 -167.51 43.35 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 125.419 1.485 . . . . 0.0 115.482 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -139.24 171.71 13.89 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 126.994 2.118 . . . . 0.0 111.021 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.41 135.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.376 1.07 . . . . 0.0 110.442 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.5 t -62.29 156.28 22.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.864 1.266 . . . . 0.0 112.146 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.54 -10.49 18.32 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.981 0.913 . . . . 0.0 113.402 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.32 -24.5 67.88 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.185 1.794 . . . . 0.0 113.653 168.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -137.98 -172.51 3.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.985 2.514 . . . . 0.0 111.969 -172.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.91 161.49 32.41 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.4 140.02 32.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.195 1.798 . . . . 0.0 111.356 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -77.47 128.89 34.97 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.654 1.182 . . . . 0.0 110.545 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.5 m -147.62 167.96 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 124.882 1.273 . . . . 0.0 112.633 -170.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -159.43 135.15 8.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.991 1.316 . . . . 0.0 111.137 163.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -71.22 130.81 42.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.936 1.295 . . . . 0.0 112.176 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.54 -4.84 20.74 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 126.033 1.733 . . . . 0.0 115.149 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -137.93 20.29 2.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.12 12.99 61.39 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 118.418 -1.212 . . . . 0.0 116.067 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -85.97 1.69 49.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.151 1.475 . . . . 0.0 113.8 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.77 -1.94 87.94 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 126.187 1.851 . . . . 0.0 116.186 170.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -140.96 161.15 23.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 124.856 1.262 . . . . 0.0 112.711 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mm -92.84 107.73 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 125.377 1.471 . . . . 0.0 108.286 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -151.5 -2.01 0.32 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.88 16.41 25.21 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 121.329 1.877 . . . . 0.0 115.066 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.05 -37.8 1.75 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 126.32 1.914 . . . . 0.0 116.882 165.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.86 5.75 50.66 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.412 1.885 . . . . 0.0 114.151 172.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.11 -3.28 54.45 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.932 1.293 . . . . 0.0 114.313 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.2 pt? -125.84 149.85 48.31 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 128.173 2.589 . . . . 0.0 110.176 171.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 97.3 m-85 -84.96 110.94 19.25 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.244 1.018 . . . . 0.0 113.263 -161.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.24 -158.53 20.01 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.763 1.173 . . . . 0.0 113.074 -174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.53 -16.66 61.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -87.32 -2.16 58.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.992 -1.067 . . . . 0.0 112.867 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.3 m -85.41 137.3 33.02 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 125.297 1.439 . . . . 0.0 110.89 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.77 152.0 23.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.908 0.883 . . . . 0.0 113.32 171.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.2 mt -92.62 174.85 7.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.446 2.299 . . . . 0.0 111.036 171.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.37 67.26 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -89.14 -5.58 57.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.816 1.189 . . . . 0.0 113.967 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.47 60.44 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 126.646 2.07 . . . . 0.0 115.969 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -65.72 152.63 43.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.097 1.449 . . . . 0.0 111.318 170.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -78.29 144.64 35.95 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 120.011 1.278 . . . . 0.0 112.212 173.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.71 150.24 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 111.28 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.57 -46.25 73.23 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.662 -0.649 . . . . 0.0 112.327 173.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.435 ' CB ' HE22 ' A' ' 149' ' ' GLN . 14.7 p80 -157.6 170.12 23.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.81 1.244 . . . . 0.0 112.304 -164.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.02 74.37 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 115.555 0.982 . . . . 0.0 115.555 -173.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -70.11 -44.79 68.25 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 118.011 0.906 . . . . 0.0 112.461 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.89 85.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.176 0.59 . . . . 0.0 111.915 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.39 98.74 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 124.238 1.015 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -77.67 -35.5 52.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.911 -1.118 . . . . 0.0 113.132 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.49 -16.42 55.49 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -60.95 -22.15 64.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.202 1.401 . . . . 0.0 114.041 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 mt -94.91 -0.7 53.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -76.76 120.34 21.78 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.895 0.855 . . . . 0.0 111.652 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 m -66.65 -37.69 85.33 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.756 1.223 . . . . 0.0 113.588 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -112.85 -16.54 12.71 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.78 45.44 17.05 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 119.461 1.028 . . . . 0.0 112.645 -171.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -111.17 9.6 21.87 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 126.058 1.743 . . . . 0.0 113.392 -171.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 68.65 15.29 9.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.101 2.16 . . . . 0.0 115.856 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.4 pt -135.59 151.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.2 mm -106.3 116.91 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 C-N-CA 124.74 1.216 . . . . 0.0 108.116 159.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -144.33 -172.81 3.86 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.974 1.31 . . . . 0.0 111.352 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.79 -13.11 3.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.8 -27.81 58.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 120.828 1.649 . . . . 0.0 113.753 169.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.66 136.08 36.72 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.28 1.032 . . . . 0.0 111.993 175.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.86 88.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.764 -1.21 . . . . 0.0 112.155 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.334 1.054 . . . . 0.0 113.75 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.25 -28.97 56.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 120.042 1.292 . . . . 0.0 113.066 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -81.7 -27.38 33.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.1 p -103.43 -15.9 15.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.565 1.546 . . . . 0.0 114.625 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.21 146.82 52.57 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.089 1.356 . . . . 0.0 111.74 171.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -137.42 169.1 18.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.535 1.934 . . . . 0.0 110.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.0 t -122.99 132.56 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 125.048 1.339 . . . . 0.0 109.252 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -107.13 126.89 52.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.931 1.292 . . . . 0.0 111.64 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -115.1 103.83 11.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.406 1.483 . . . . 0.0 109.267 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -75.87 82.09 2.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.954 0.797 . . . . 0.0 111.263 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -24.01 63.09 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -161.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -112.13 -7.26 14.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.22 1.808 . . . . 0.0 113.834 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.273 21.4 mp0 47.41 60.37 3.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.463 1.905 . . . . 0.0 114.441 -168.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -92.95 -10.17 37.36 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.536 1.134 . . . . 0.0 113.143 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.44 ' HA3' ' HA3' ' A' ' 18' ' ' GLY . . . 71.76 17.84 76.99 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 124.907 1.241 . . . . 0.0 115.114 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.12 129.2 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.477 1.911 . . . . 0.0 108.308 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -85.02 135.33 34.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.139 0.976 . . . . 0.0 111.181 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -125.32 147.8 48.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.832 1.653 . . . . 0.0 108.936 169.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.46 -30.24 68.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -56.14 -30.1 61.67 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.879 1.672 . . . . 0.0 113.392 171.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -88.05 -3.29 58.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.999 1.32 . . . . 0.0 114.327 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.16 150.86 21.2 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 124.501 1.12 . . . . 0.0 110.954 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -136.43 150.3 48.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.822 2.049 . . . . 0.0 110.798 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.1 p -72.18 160.82 31.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.513 1.525 . . . . 0.0 111.702 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.75 -34.74 76.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.354 -0.842 . . . . 0.0 111.124 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.51 -41.98 88.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -175.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -75.54 -18.35 59.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.4 6.32 27.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.74 1.216 . . . . 0.0 112.505 167.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 63.71 23.58 67.29 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 123.989 0.804 . . . . 0.0 114.077 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.81 134.72 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 118.688 1.244 . . . . 0.0 109.191 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -106.17 -47.83 3.73 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.272 1.429 . . . . 0.0 111.734 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.0 p -155.26 154.26 31.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.993 -1.067 . . . . 0.0 112.341 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.76 134.49 53.29 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.989 1.315 . . . . 0.0 108.938 166.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -83.3 146.84 28.3 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 171.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.92 -2.71 31.21 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.308 1.043 . . . . 0.0 113.76 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.42 138.47 35.56 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.763 1.225 . . . . 0.0 111.909 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -150.11 163.71 37.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.221 1.008 . . . . 0.0 112.48 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -123.13 143.01 50.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.898 1.679 . . . . 0.0 110.73 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.21 121.61 18.69 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.965 164.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.25 -21.95 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 C-N-CA 125.365 1.466 . . . . 0.0 114.484 -175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.8 m120 49.08 36.76 9.3 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 126.184 1.793 . . . . 0.0 115.43 169.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -79.02 139.05 38.27 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.516 1.127 . . . . 0.0 112.099 -172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.44 128.61 34.79 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.985 0.514 . . . . 0.0 109.879 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.98 -27.74 13.73 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 117.03 156.68 10.59 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 125.253 1.406 . . . . 0.0 112.026 -166.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.8 m120 54.29 24.87 5.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.794 2.037 . . . . 0.0 113.438 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.79 20.05 73.92 Favored Glycine 0 CA--C 1.528 0.871 0 O-C-N 120.912 -1.117 . . . . 0.0 115.277 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -91.16 124.95 35.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 117.941 0.87 . . . . 0.0 109.819 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -103.84 134.14 47.63 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.033 0.933 . . . . 0.0 110.699 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.07 94.07 9.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.767 1.227 . . . . 0.0 107.955 165.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.56 67.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 123.226 0.61 . . . . 0.0 112.147 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.435 HE22 ' CB ' ' A' ' 76' ' ' HIS . 37.8 mt-30 -133.76 138.88 46.0 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.747 1.619 . . . . 0.0 110.48 -173.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -131.64 145.68 51.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.89 1.276 . . . . 0.0 113.249 -169.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.81 -157.04 8.29 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 126.854 2.169 . . . . 0.0 112.558 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 m -133.6 162.64 31.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.751 1.62 . . . . 0.0 114.135 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -137.33 157.75 45.94 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.455 1.902 . . . . 0.0 111.005 169.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.5 m -110.61 140.65 44.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.807 1.643 . . . . 0.0 111.567 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -102.57 159.74 15.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.383 1.873 . . . . 0.0 112.897 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.2 p -66.58 -19.36 65.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.502 1.521 . . . . 0.0 113.938 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -78.35 0.93 23.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.204 1.402 . . . . 0.0 114.444 169.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.04 -5.33 84.38 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.745 1.641 . . . . 0.0 115.237 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 31.1 p -77.55 165.72 23.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 119.534 1.667 . . . . 0.0 112.177 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 60.0 p -127.22 153.53 45.98 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.15 0.98 . . . . 0.0 111.403 173.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.92 164.7 31.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.026 0.931 . . . . 0.0 110.88 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -75.59 153.93 37.03 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 122.612 1.196 . . . . 0.0 113.242 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.1 ptm -147.71 166.57 27.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.945 1.298 . . . . 0.0 109.831 166.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.19 172.61 41.93 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 121.369 -0.832 . . . . 0.0 114.795 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -82.38 105.85 13.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.203 1.001 . . . . 0.0 109.922 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.2 123.6 48.29 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.895 2.078 . . . . 0.0 109.584 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.87 134.13 35.1 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 112.342 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.9 mt -114.16 152.67 30.82 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.725 2.01 . . . . 0.0 114.632 -163.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -56.37 147.59 21.01 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.173 1.389 . . . . 0.0 113.921 170.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -143.59 146.1 33.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.829 1.252 . . . . 0.0 111.918 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -76.69 159.26 30.35 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 123.983 0.913 . . . . 0.0 112.781 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -86.5 -39.06 16.64 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -169.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 46.3 mt -106.77 165.76 11.08 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.153 1.381 . . . . 0.0 112.358 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.2 121.59 14.05 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.606 1.162 . . . . 0.0 111.318 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 13.6 m -64.78 -17.65 64.38 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -122.92 36.53 4.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.6 1.56 . . . . 0.0 113.124 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -58.1 -30.47 66.29 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 120.825 -1.172 . . . . 0.0 114.141 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 71.3 mt -108.45 -32.29 7.48 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.353 1.461 . . . . 0.0 113.067 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.259 1.573 0 C-N-CA 124.963 1.305 . . . . 0.0 113.156 -176.86 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 8.7 Cg_exo . . . . . 0 CA--C 1.517 -0.352 0 N-CA-C 112.514 0.159 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.89 125.85 27.23 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 121.505 -0.747 . . . . 0.0 112.637 -174.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.19 144.26 49.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 127.634 2.374 . . . . 0.0 110.756 174.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -116.23 138.3 51.41 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.047 1.739 . . . . 0.0 110.967 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -79.22 114.02 17.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.801 1.24 . . . . 0.0 110.349 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.87 -27.33 22.27 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -168.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -110.91 -5.83 14.81 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.26 33.56 11.7 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-O 118.37 -1.239 . . . . 0.0 115.246 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -123.54 16.9 9.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 120.29 2.045 . . . . 0.0 114.75 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.4 158.07 28.91 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 125.896 1.713 . . . . 0.0 113.501 -172.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.76 122.24 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 124.148 0.979 . . . . 0.0 108.584 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -100.61 149.56 23.62 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.964 1.306 . . . . 0.0 111.886 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 p -134.89 166.92 21.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.121 1.368 . . . . 0.0 112.221 -173.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m -130.75 143.77 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 C-N-CA 125.762 1.625 . . . . 0.0 109.63 169.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.65 156.2 20.1 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.137 1.375 . . . . 0.0 113.987 -165.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.7 m -65.99 112.22 3.72 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.622 1.169 . . . . 0.0 111.221 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -150.26 151.7 33.38 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 126.288 1.835 . . . . 0.0 112.242 -169.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.12 -162.18 49.66 Favored Glycine 0 C--O 1.217 -0.92 0 C-N-CA 124.888 1.233 . . . . 0.0 116.044 168.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -131.58 132.01 43.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 126.483 1.913 . . . . 0.0 110.959 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -88.57 -29.1 20.28 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.557 1.143 . . . . 0.0 113.604 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.64 25.79 57.86 Favored Glycine 0 C--N 1.341 0.836 0 O-C-N 121.63 -0.668 . . . . 0.0 114.556 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -61.6 156.26 20.27 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.336 1.054 . . . . 0.0 112.613 176.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.6 -24.63 15.45 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.856 1.263 . . . . 0.0 113.22 -172.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -139.0 148.59 43.65 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 126.692 1.997 . . . . 0.0 110.492 176.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.2 p30 -80.01 -11.43 59.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -71.04 141.77 50.9 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 126.518 1.927 . . . . 0.0 111.46 161.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -95.65 147.39 23.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.455 1.102 . . . . 0.0 112.215 -175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.91 7.53 5.59 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.63 1.972 . . . . 0.0 115.572 -176.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.37 -35.79 0.12 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.18 25.81 65.46 Favored Glycine 0 C--N 1.34 0.803 0 CA-C-O 117.801 -1.555 . . . . 0.0 114.901 -175.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.3 pt -130.27 -34.37 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -60.82 141.61 56.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 120.938 1.699 . . . . 0.0 112.323 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -132.85 143.43 49.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.67 1.123 . . . . 0.0 113.512 -172.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.93 67.75 8.05 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.507 1.123 . . . . 0.0 110.767 162.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 m 66.63 -21.18 0.1 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 117.468 2.396 . . . . 0.0 117.468 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.01 99.99 0.67 Allowed Glycine 0 C--N 1.333 0.409 0 CA-C-N 121.537 1.971 . . . . 0.0 112.578 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -157.28 174.58 15.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.102 1.361 . . . . 0.0 113.29 -164.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.95 141.5 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.742 1.217 . . . . 0.0 109.913 165.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -60.97 153.8 24.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.072 -1.017 . . . . 0.0 112.073 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.81 16.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 169.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.88 -31.67 72.75 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.799 1.24 . . . . 0.0 113.071 172.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -122.05 -170.65 2.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.012 2.125 . . . . 0.0 111.673 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.66 161.51 32.3 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 115.836 1.094 . . . . 0.0 115.836 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.44 138.04 31.89 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.891 1.676 . . . . 0.0 111.304 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.57 129.08 37.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.859 0.864 . . . . 0.0 110.157 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -143.8 167.63 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 124.572 1.149 . . . . 0.0 112.909 -174.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -145.76 130.91 18.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 126.622 1.969 . . . . 0.0 111.218 171.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -79.74 115.04 19.11 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.31 0.644 . . . . 0.0 111.596 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -89.94 -0.31 57.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 114.823 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -139.3 3.08 2.12 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 17.44 77.05 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -83.76 -3.78 58.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 118.956 1.378 . . . . 0.0 114.589 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.8 4.96 90.31 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-O 118.069 -1.406 . . . . 0.0 115.634 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.1 pt -132.44 164.23 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 125.833 1.653 . . . . 0.0 112.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -97.8 119.71 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 124.65 1.18 . . . . 0.0 109.524 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -132.24 -1.67 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -172.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.23 150.27 35.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.622 1.169 . . . . 0.0 112.086 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.26 -18.45 49.43 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.787 1.184 . . . . 0.0 114.776 175.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -19.21 65.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.996 1.719 . . . . 0.0 114.727 170.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -93.85 -10.55 33.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.964 1.705 . . . . 0.0 113.177 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.95 165.12 22.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.11 1.764 . . . . 0.0 110.609 164.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 59.8 m-85 -100.12 105.23 16.83 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.618 -0.676 . . . . 0.0 110.159 163.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.28 -162.61 27.38 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 125.377 1.465 . . . . 0.0 113.697 -169.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -75.48 10.83 1.47 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -124.38 2.89 8.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.562 1.545 . . . . 0.0 113.571 170.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -76.07 152.04 36.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 120.459 -1.401 . . . . 0.0 111.204 167.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -94.66 161.22 14.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.36 179.21 4.33 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 128.876 2.87 . . . . 0.0 110.609 174.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.66 -29.39 69.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -89.26 7.89 33.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 119.278 0.944 . . . . 0.0 112.79 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.84 86.65 Favored Glycine 0 N--CA 1.443 -0.892 0 O-C-N 120.622 -1.299 . . . . 0.0 115.704 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.97 150.05 48.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 119.385 1.592 . . . . 0.0 110.309 167.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -78.71 142.88 36.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.489 -0.757 . . . . 0.0 110.401 171.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.52 149.97 47.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.76 0.824 . . . . 0.0 112.006 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -81.97 -26.94 33.51 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -154.06 167.38 30.01 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.258 1.423 . . . . 0.0 112.415 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.36 -29.52 74.31 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.234 -0.916 . . . . 0.0 115.355 -168.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -74.61 -37.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 118.703 1.252 . . . . 0.0 112.012 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.08 82.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.81 0.732 . . . . 0.0 112.514 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.43 97.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.428 1.091 . . . . 0.0 112.899 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.6 tp -76.25 -37.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.88 -19.61 65.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -172.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.73 -23.38 66.73 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.307 1.443 . . . . 0.0 113.466 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.6 mt -85.29 -3.05 58.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -174.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -68.15 119.51 12.85 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 121.068 -1.02 . . . . 0.0 110.203 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.0 p -81.09 -37.08 29.56 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.764 1.226 . . . . 0.0 114.1 -171.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -110.54 -21.11 12.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.05 1.74 . . . . 0.0 113.691 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.39 67.42 1.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 O-C-N 121.331 -0.856 . . . . 0.0 112.464 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -122.53 -2.14 8.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.65 1.58 . . . . 0.0 113.437 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.16 25.03 10.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.869 2.068 . . . . 0.0 114.998 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -132.47 147.14 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 124.785 1.234 . . . . 0.0 111.158 166.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm -98.16 110.51 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -142.48 169.66 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 126.623 1.969 . . . . 0.0 110.89 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.71 -16.1 24.62 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -166.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.36 -21.65 49.13 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.81 1.186 . . . . 0.0 114.108 171.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.98 125.58 27.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 120.159 1.345 . . . . 0.0 111.334 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.07 73.48 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.28 -18.04 62.44 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.47 -34.7 62.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 119.188 0.904 . . . . 0.0 112.366 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.65 -20.42 65.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.702 1.201 . . . . 0.0 113.746 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 m -98.84 -6.21 29.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.118 1.367 . . . . 0.0 114.09 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.38 136.63 44.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.804 -1.185 . . . . 0.0 111.427 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -139.24 171.9 13.61 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.049 1.739 . . . . 0.0 110.56 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -118.89 131.8 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 124.034 0.934 . . . . 0.0 110.141 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -100.55 120.8 40.57 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.366 1.467 . . . . 0.0 110.451 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -112.97 98.35 7.12 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.628 1.171 . . . . 0.0 108.581 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -73.29 112.96 9.84 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.969 0.804 . . . . 0.0 109.742 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.4 mt -80.18 -7.08 58.78 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -170.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -114.36 -10.9 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 52.65 54.07 11.18 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.061 1.745 . . . . 0.0 112.766 -170.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -108.74 -15.56 14.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.686 1.194 . . . . 0.0 112.836 171.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.15 78.89 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 120.881 -1.137 . . . . 0.0 112.887 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.78 112.72 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 126.147 1.779 . . . . 0.0 106.394 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.16 146.36 27.15 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.058 -1.027 . . . . 0.0 113.23 -167.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -132.19 151.47 51.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.123 1.769 . . . . 0.0 109.171 169.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.56 71.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.497 -1.377 . . . . 0.0 114.067 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -63.01 -19.71 64.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.34 -10.16 59.19 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.079 1.352 . . . . 0.0 113.046 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.78 142.15 29.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.503 0.721 . . . . 0.0 111.592 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -137.03 150.63 48.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.771 2.028 . . . . 0.0 111.244 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.2 p -77.59 164.95 24.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.787 1.235 . . . . 0.0 112.167 174.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.48 -48.07 68.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.155 -0.966 . . . . 0.0 112.312 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.49 -33.63 74.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.69 0.796 . . . . 0.0 113.035 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.73 -20.64 63.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 119.499 1.045 . . . . 0.0 113.279 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.8 mt -97.58 2.85 50.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.433 1.893 . . . . 0.0 113.493 171.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.91 17.6 80.18 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 124.825 1.202 . . . . 0.0 115.674 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 33.6 mt -84.25 137.49 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 119.497 1.649 . . . . 0.0 109.777 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -127.01 -42.01 1.76 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 p -159.48 154.77 25.37 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 120.5 1.5 . . . . 0.0 112.084 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -109.47 133.36 53.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.574 1.149 . . . . 0.0 111.427 -174.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -93.14 118.58 31.38 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.829 1.252 . . . . 0.0 111.589 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.67 28.87 0.74 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -106.01 115.14 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.814 1.646 . . . . 0.0 109.753 167.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.98 147.59 34.12 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.864 1.266 . . . . 0.0 112.846 -168.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -111.89 135.22 52.81 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.679 1.992 . . . . 0.0 110.573 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.51 126.28 29.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.454 1.502 . . . . 0.0 110.739 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.42 -30.41 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 -172.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 44.22 50.14 7.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.886 2.075 . . . . 0.0 115.684 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -89.12 143.94 26.49 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.265 1.826 . . . . 0.0 112.793 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.0 138.55 38.88 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.572 -0.705 . . . . 0.0 111.034 161.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 81.1 mt -119.07 -4.81 10.55 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.657 1.583 . . . . 0.0 114.24 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 158.55 178.37 32.51 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 111.838 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -65.74 110.35 2.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 117.98 0.89 . . . . 0.0 110.427 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.75 7.78 88.06 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.42 124.16 49.97 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 120.08 1.94 . . . . 0.0 111.68 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -132.81 136.06 46.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.226 1.01 . . . . 0.0 110.64 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.25 105.95 15.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.488 1.515 . . . . 0.0 109.351 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.43 -47.59 26.62 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.904 0.882 . . . . 0.0 112.317 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -138.41 154.42 48.9 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.398 1.479 . . . . 0.0 111.175 -174.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -143.18 144.19 32.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -161.94 -151.73 6.43 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 126.945 2.212 . . . . 0.0 112.716 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 30.8 m -141.36 171.14 14.48 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.941 1.696 . . . . 0.0 112.611 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -135.36 160.35 38.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.273 1.829 . . . . 0.0 111.566 170.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 54.7 m -94.68 136.24 35.21 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 125.69 1.596 . . . . 0.0 111.202 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -95.96 156.18 16.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 126.407 1.883 . . . . 0.0 112.948 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.9 p -61.51 -22.76 65.41 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.164 1.386 . . . . 0.0 113.906 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -88.54 8.4 28.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.85 0.86 90.48 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 116.767 1.467 . . . . 0.0 116.767 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.4 p -90.64 -179.59 5.58 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 118.642 1.221 . . . . 0.0 112.301 172.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 77.1 p -122.79 159.54 27.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.519 1.128 . . . . 0.0 111.952 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.64 163.96 33.23 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.558 1.543 . . . . 0.0 110.692 170.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.57 154.96 36.44 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -150.81 168.68 23.7 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.06 1.344 . . . . 0.0 111.591 167.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.0 171.19 43.67 Favored Glycine 0 N--CA 1.446 -0.663 0 O-C-N 121.255 -0.903 . . . . 0.0 115.154 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -89.92 104.66 17.2 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 125.866 1.666 . . . . 0.0 109.638 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.8 tt -115.73 124.63 51.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 110.151 -169.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 31.1 mt -81.24 135.41 35.73 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.079 1.352 . . . . 0.0 112.008 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 48.9 mt -109.6 146.79 34.13 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.82 1.648 . . . . 0.0 111.316 -169.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -86.72 159.66 19.09 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -89.36 166.31 13.82 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 124.233 1.013 . . . . 0.0 113.327 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.65 159.62 27.94 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.881 1.673 . . . . 0.0 112.738 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -127.54 136.89 52.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -170.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 pp -124.0 -11.7 7.56 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.524 1.529 . . . . 0.0 114.896 166.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -81.86 98.39 8.49 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 118.983 0.81 . . . . 0.0 109.589 172.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.1 t -72.11 138.19 47.57 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.738 0.78 . . . . 0.0 113.023 -167.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 58.51 14.66 3.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 128.564 2.745 . . . . 0.0 115.291 -170.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -68.2 -33.99 75.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 119.426 1.012 . . . . 0.0 111.976 171.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 82.5 mt -88.74 23.45 2.3 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.973 1.309 . . . . 0.0 112.956 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--O 1.25 1.081 0 C-N-CA 127.091 2.156 . . . . 0.0 112.565 178.368 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 112.699 0.23 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.23 121.34 13.46 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.179 0.991 . . . . 0.0 112.831 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.0 148.51 32.39 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.724 2.41 . . . . 0.0 111.659 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -119.42 134.75 55.07 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.154 1.782 . . . . 0.0 109.721 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.16 106.1 10.96 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 125.652 1.581 . . . . 0.0 109.541 167.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.1 -31.62 19.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.808 -1.183 . . . . 0.0 113.077 -166.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -98.02 -2.42 40.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.95 1.3 . . . . 0.0 114.349 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.16 43.69 7.4 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 115.874 1.11 . . . . 0.0 115.874 164.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -138.19 13.75 2.83 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.23 149.18 19.72 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 126.763 2.125 . . . . 0.0 113.117 -176.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.71 123.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.023 0.929 . . . . 0.0 109.286 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -108.24 152.85 24.04 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 112.821 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 p -135.44 157.99 45.51 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.246 1.418 . . . . 0.0 112.422 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.15 147.17 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 C-N-CA 125.515 1.526 . . . . 0.0 111.866 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.14 136.49 56.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.49 0.716 . . . . 0.0 111.402 167.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.0 m -71.14 131.21 43.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 123.449 0.7 . . . . 0.0 110.458 176.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -139.43 -44.2 0.45 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 126.639 1.976 . . . . 0.0 111.802 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.58 36.96 2.25 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 125.894 1.711 . . . . 0.0 114.751 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -57.56 137.46 56.31 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 118.703 1.251 . . . . 0.0 112.758 -170.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.8 p -129.27 -20.82 3.31 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.51 -139.67 33.94 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 118.675 0.671 . . . . 0.0 114.208 173.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 m -68.68 120.32 14.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.639 0.775 . . . . 0.0 111.882 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.7 mt -124.82 -9.41 7.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.363 1.465 . . . . 0.0 113.382 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -132.35 151.01 52.04 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.915 1.686 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.21 -19.02 41.84 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -169.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -97.71 -1.92 42.42 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.874 1.269 . . . . 0.0 114.28 176.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -73.2 149.84 42.56 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 120.181 -1.574 . . . . 0.0 111.387 167.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -131.94 153.89 49.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.029 1.732 . . . . 0.0 111.328 171.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -90.29 151.55 21.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.226 1.011 . . . . 0.0 111.559 170.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.98 -173.06 18.62 Favored Glycine 0 C--N 1.342 0.895 0 C-N-CA 126.094 1.807 . . . . 0.0 113.88 -174.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.2 pt -77.41 -14.72 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -169.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -141.79 156.67 45.56 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 126.228 1.811 . . . . 0.0 112.042 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.7 p -142.58 155.81 45.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.024 1.33 . . . . 0.0 112.187 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.44 142.03 57.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.655 1.182 . . . . 0.0 113.78 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 p -123.15 -12.78 7.86 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.35 1.46 . . . . 0.0 113.19 174.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.06 126.61 1.62 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 124.61 1.1 . . . . 0.0 112.126 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -141.79 170.2 16.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.144 1.378 . . . . 0.0 112.837 -166.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.7 133.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.976 1.31 . . . . 0.0 111.235 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -59.65 156.33 13.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.745 1.618 . . . . 0.0 114.034 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -16.14 64.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -80.46 -18.81 47.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.265 1.426 . . . . 0.0 113.272 172.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -116.86 -178.82 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 111.87 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.99 175.88 37.62 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 116.208 1.243 . . . . 0.0 116.208 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.0 140.16 48.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.879 2.072 . . . . 0.0 112.135 -177.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 tp -80.77 129.36 34.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.93 0.892 . . . . 0.0 111.281 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -145.91 168.52 7.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 124.932 1.293 . . . . 0.0 112.761 -172.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -154.07 127.11 8.34 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.579 1.551 . . . . 0.0 111.358 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -76.7 116.45 17.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.058 0.543 . . . . 0.0 110.359 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.98 2.7 46.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.951 1.701 . . . . 0.0 113.83 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.92 -5.28 3.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.92 9.23 86.54 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -73.84 -5.08 38.78 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 120.21 2.005 . . . . 0.0 114.886 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.05 -6.87 72.93 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 126.305 1.907 . . . . 0.0 115.101 176.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 pt -132.2 167.16 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.807 1.643 . . . . 0.0 113.37 -173.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.2 mm -104.83 98.52 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.532 2.333 . . . . 0.0 109.092 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -133.88 -20.18 1.99 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -168.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -98.41 149.56 22.54 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 126.146 1.778 . . . . 0.0 111.74 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.02 -21.61 63.87 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 116.159 1.223 . . . . 0.0 116.159 -172.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.53 -9.28 59.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.751 1.22 . . . . 0.0 114.267 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -86.78 -4.25 59.15 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.795 1.238 . . . . 0.0 114.128 -170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.16 152.67 26.77 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.897 1.679 . . . . 0.0 109.385 164.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.35 106.98 18.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.689 -0.632 . . . . 0.0 111.415 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.09 -177.11 43.01 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.434 1.492 . . . . 0.0 111.726 -173.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -63.96 -10.85 23.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -169.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.47 -3.74 48.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.779 -1.826 . . . . 0.0 113.779 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -78.13 145.92 35.43 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.79 1.636 . . . . 0.0 111.811 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -99.43 140.88 32.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.153 1.381 . . . . 0.0 112.413 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.05 169.22 10.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.482 2.313 . . . . 0.0 111.567 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.3 66.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -170.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -84.69 5.16 29.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 120.085 1.311 . . . . 0.0 114.099 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.89 -3.29 82.83 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 125.862 1.696 . . . . 0.0 115.17 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -68.35 152.02 46.04 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.07 1.435 . . . . 0.0 111.4 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.83 144.97 28.09 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.452 -0.78 . . . . 0.0 112.172 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.48 142.64 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.562 1.145 . . . . 0.0 111.121 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -81.92 -25.34 35.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.55 170.4 22.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.435 1.894 . . . . 0.0 111.905 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.51 -24.75 66.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.273 0.939 . . . . 0.0 115.243 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.4 -46.6 66.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 119.005 1.403 . . . . 0.0 112.25 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.09 76.28 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 123.225 0.61 . . . . 0.0 112.567 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.72 96.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.907 0.883 . . . . 0.0 113.14 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 tp -76.67 -35.89 57.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.776 1.231 . . . . 0.0 113.12 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.56 65.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -61.38 -16.47 46.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.703 1.201 . . . . 0.0 113.694 172.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -95.91 -0.3 51.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -72.32 119.08 16.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 119.963 1.256 . . . . 0.0 109.731 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 m -88.64 -27.21 21.44 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -170.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -112.4 -10.37 13.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.34 18.07 59.57 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -79.41 -0.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 119.185 1.493 . . . . 0.0 113.968 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.268 27.8 t30 68.71 20.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.797 2.039 . . . . 0.0 115.723 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.87 150.63 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 C-N-CA 124.965 1.306 . . . . 0.0 111.971 168.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.1 113.44 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 124.748 1.219 . . . . 0.0 108.449 170.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -145.39 171.89 13.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.575 1.55 . . . . 0.0 111.43 -174.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.97 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -20.03 59.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.796 1.18 . . . . 0.0 113.997 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -72.81 142.3 48.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 120.222 1.374 . . . . 0.0 112.867 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.8 91.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -165.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.4 -17.62 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -53.9 -44.72 70.74 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -160.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -70.2 -19.42 63.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m -89.79 -12.21 39.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.708 1.603 . . . . 0.0 113.342 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.01 152.57 45.55 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 124.237 1.015 . . . . 0.0 111.413 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -140.63 165.66 26.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.817 1.647 . . . . 0.0 110.836 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.72 131.14 70.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.974 1.31 . . . . 0.0 108.811 169.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -100.87 123.55 45.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.644 1.578 . . . . 0.0 110.818 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -117.54 98.57 6.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.698 1.199 . . . . 0.0 108.284 169.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.25 118.73 15.5 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 122.047 -0.408 . . . . 0.0 110.484 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.51 -9.89 59.6 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -170.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -111.57 -3.73 15.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.392 1.477 . . . . 0.0 111.812 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 53.03 37.78 25.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.574 1.55 . . . . 0.0 112.732 -174.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -108.14 0.83 21.82 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.77 26.02 73.04 Favored Glycine 0 C--O 1.227 -0.319 0 O-C-N 120.929 -1.107 . . . . 0.0 114.975 169.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.8 mt -126.96 115.89 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.2 p -86.01 150.53 24.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -163.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -131.3 155.49 47.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.174 168.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.47 67.16 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -74.93 -10.26 59.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.17 -4.92 45.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.985 1.714 . . . . 0.0 113.695 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -97.2 149.82 21.59 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.539 1.136 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -138.45 152.88 48.72 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 127.854 2.461 . . . . 0.0 111.448 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.5 p -75.12 163.76 27.22 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 124.293 1.037 . . . . 0.0 111.979 169.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.73 -35.86 70.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.004 -1.06 . . . . 0.0 111.227 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.84 -38.14 82.8 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -73.44 -11.65 60.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.02 4.52 42.46 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 113.118 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.74 20.0 78.38 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 124.889 1.233 . . . . 0.0 115.045 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.6 mt -79.69 128.58 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 120.017 1.909 . . . . 0.0 109.799 -174.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -96.6 -50.76 4.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.067 1.347 . . . . 0.0 112.365 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.9 p -160.32 157.52 28.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.59 -0.694 . . . . 0.0 112.859 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.35 133.13 53.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.686 1.194 . . . . 0.0 109.246 172.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -86.65 126.91 34.85 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.014 1.326 . . . . 0.0 110.518 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.28 -2.89 54.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.86 129.52 34.84 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.884 1.22 . . . . 0.0 112.091 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -138.27 166.4 24.28 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 125.396 1.478 . . . . 0.0 113.183 -170.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -134.48 145.62 48.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.306 1.842 . . . . 0.0 111.491 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.53 137.18 37.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.263 0.625 . . . . 0.0 111.265 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.5 m -129.59 -38.61 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 124.35 1.06 . . . . 0.0 113.182 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 46.01 48.39 12.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.507 1.523 . . . . 0.0 112.952 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -102.36 125.48 49.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.213 2.605 . . . . 0.0 112.266 -162.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.93 121.79 19.69 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.221 1.009 . . . . 0.0 111.348 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.37 -1.89 52.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.336 1.454 . . . . 0.0 113.7 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.75 174.21 35.93 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 124.688 1.137 . . . . 0.0 113.026 -167.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . 0.261 0.6 OUTLIER 50.1 18.05 0.36 Allowed 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.49 2.316 . . . . 0.0 116.222 -177.575 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.17 5.0 70.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.621 1.582 . . . . 0.0 116.33 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -97.32 153.82 17.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.499 2.149 . . . . 0.0 112.044 172.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.2 m -141.49 142.89 33.59 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.439 1.496 . . . . 0.0 110.211 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 16.2 tp -100.39 123.29 44.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.156 1.382 . . . . 0.0 109.825 172.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.35 -56.64 3.23 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.603 0.638 . . . . 0.0 112.482 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -128.11 142.94 51.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 126.54 1.936 . . . . 0.0 108.805 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -130.32 150.93 51.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.02 1.328 . . . . 0.0 112.461 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.83 -152.82 6.42 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 128.048 2.737 . . . . 0.0 110.569 170.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.5 p -136.35 161.49 35.66 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -121.84 155.59 35.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.796 1.638 . . . . 0.0 110.41 169.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 99.1 m -104.6 139.91 38.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.561 1.544 . . . . 0.0 111.191 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.97 158.55 15.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.243 2.217 . . . . 0.0 111.876 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.3 p -69.19 -15.61 63.43 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -80.22 0.07 34.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 166.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.82 -11.09 71.6 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 126.286 1.898 . . . . 0.0 115.489 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 39.8 p -79.43 171.26 15.41 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.253 1.527 . . . . 0.0 112.913 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 33.0 p -130.35 155.44 46.36 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.521 1.128 . . . . 0.0 113.428 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.65 165.46 27.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.31 1.844 . . . . 0.0 111.051 169.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -72.91 153.01 41.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 120.849 -1.157 . . . . 0.0 114.114 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.9 ptm -145.88 161.11 40.76 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.527 1.531 . . . . 0.0 109.979 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.05 168.32 40.11 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 121.561 -0.712 . . . . 0.0 114.477 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -83.01 111.07 18.52 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 123.868 0.867 . . . . 0.0 109.65 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.1 tt -112.1 126.82 55.59 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.148 1.779 . . . . 0.0 110.842 -170.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.7 mt -83.21 119.36 24.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.523 1.129 . . . . 0.0 111.107 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.8 mt -86.46 135.87 33.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.379 1.872 . . . . 0.0 111.14 -173.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -97.63 136.01 38.62 Favored 'General case' 0 CA--C 1.514 -0.407 0 O-C-N 121.451 -0.781 . . . . 0.0 112.282 -175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -154.54 134.89 13.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.216 1.407 . . . . 0.0 112.615 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -102.01 141.65 34.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.702 1.601 . . . . 0.0 111.243 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -69.74 143.65 52.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.377 -0.827 . . . . 0.0 111.007 169.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 70.9 mt -80.81 5.49 15.8 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.043 1.337 . . . . 0.0 114.39 -175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -80.25 150.1 30.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.618 1.167 . . . . 0.0 112.961 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 19.1 t -84.75 148.48 26.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.81 152.27 48.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.953 2.101 . . . . 0.0 110.584 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -118.55 125.44 49.85 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.398 1.879 . . . . 0.0 109.849 170.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 89.3 mt -138.86 157.26 46.37 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.353 1.461 . . . . 0.0 112.063 -172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--O 1.245 0.861 0 C-N-CA 127.586 2.354 . . . . 0.0 111.894 -173.805 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.5 Cg_exo . . . . . 0 N--CA 1.473 0.273 0 N-CA-C 113.216 0.429 . . . . 0.0 113.216 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.77 120.7 15.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.85 145.29 43.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.504 2.322 . . . . 0.0 112.233 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mp -119.91 136.88 54.34 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.107 1.763 . . . . 0.0 111.576 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.03 112.98 21.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.633 1.173 . . . . 0.0 110.291 174.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.7 mt -90.12 -35.4 15.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -111.52 17.53 19.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.535 1.934 . . . . 0.0 114.794 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.46 -4.24 69.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 163.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -99.66 18.74 17.32 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.794 2.038 . . . . 0.0 113.713 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.35 164.1 39.93 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 125.757 1.646 . . . . 0.0 113.369 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.98 120.0 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 O-C-N 121.627 -0.925 . . . . 0.0 109.575 -176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -102.12 150.35 23.35 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.982 1.713 . . . . 0.0 112.317 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.6 p -132.32 160.87 34.99 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.594 1.558 . . . . 0.0 113.404 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.74 156.92 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 126.016 1.726 . . . . 0.0 111.665 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.62 159.91 29.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.991 0.917 . . . . 0.0 112.265 166.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 p -99.12 144.04 28.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -175.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -95.78 -169.28 1.92 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.406 2.283 . . . . 0.0 109.827 170.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.39 50.15 5.52 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 124.835 1.207 . . . . 0.0 112.361 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -64.03 -34.21 77.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.054 1.342 . . . . 0.0 113.78 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -136.11 13.96 3.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.705 1.602 . . . . 0.0 113.792 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.75 -117.54 0.77 Allowed Glycine 0 CA--C 1.522 0.492 0 C-N-CA 125.906 1.717 . . . . 0.0 110.879 -168.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -126.69 -15.26 5.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.0 mt -93.65 158.33 15.74 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.424 1.09 . . . . 0.0 112.535 -172.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -117.76 131.05 56.64 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.886 1.674 . . . . 0.0 112.498 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -160.54 105.39 1.44 Allowed 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 125.523 1.529 . . . . 0.0 109.718 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -64.61 -7.81 11.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.193 -1.567 . . . . 0.0 114.826 -174.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -87.9 -13.12 42.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 125.406 1.482 . . . . 0.0 114.235 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -152.75 -47.61 0.1 Allowed 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -167.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.9 63.44 1.53 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 128.122 2.569 . . . . 0.0 110.697 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.46 -143.34 2.75 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.361 0.981 . . . . 0.0 114.902 -171.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -86.6 138.47 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 124.654 1.182 . . . . 0.0 109.735 177.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -79.57 126.05 30.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.35 -0.844 . . . . 0.0 109.638 172.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.0 p -86.69 -3.51 59.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 116.96 2.208 . . . . 0.0 116.96 -147.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.68 -43.75 1.85 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.012 1.325 . . . . 0.0 113.765 173.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -61.67 128.92 38.58 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.377 1.071 . . . . 0.0 112.522 -172.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.82 160.11 22.73 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 125.343 1.449 . . . . 0.0 113.864 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -149.87 172.57 14.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.373 1.069 . . . . 0.0 112.42 -172.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -73.8 134.32 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 124.592 1.157 . . . . 0.0 110.522 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 t -63.21 156.18 26.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.863 1.265 . . . . 0.0 112.23 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -11.29 19.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.9 -35.06 75.68 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 166.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -127.11 -176.79 3.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 128.891 2.876 . . . . 0.0 111.205 -167.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.86 169.17 34.04 Favored Glycine 0 C--N 1.339 0.717 0 O-C-N 121.005 -1.059 . . . . 0.0 115.111 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -102.66 141.32 35.67 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.702 1.601 . . . . 0.0 111.511 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.7 129.28 35.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.012 0.925 . . . . 0.0 111.504 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.37 163.97 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 124.968 1.307 . . . . 0.0 112.778 -170.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -154.89 120.81 5.17 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.848 1.659 . . . . 0.0 110.005 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.64 117.66 20.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.12 -21.6 64.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.496 -0.753 . . . . 0.0 112.065 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -94.2 -8.51 39.1 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.92 14.18 72.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -84.42 -20.07 32.45 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 119.683 1.742 . . . . 0.0 112.874 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.13 23.25 35.4 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.804 1.193 . . . . 0.0 113.99 -169.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.46 118.78 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.908 1.283 . . . . 0.0 110.669 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.6 mm -98.52 111.32 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 127.472 2.309 . . . . 0.0 108.216 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -144.09 -9.91 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -114.04 153.21 29.8 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.66 1.184 . . . . 0.0 111.394 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.35 -17.96 62.49 Favored Glycine 0 C--N 1.342 0.886 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.41 -11.57 60.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.164 -1.198 . . . . 0.0 113.916 168.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -105.38 -7.2 18.94 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.405 1.482 . . . . 0.0 113.78 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 tp -131.41 111.15 11.57 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.159 2.183 . . . . 0.0 108.788 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 95.7 m-85 -66.1 112.75 4.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.306 0.642 . . . . 0.0 112.509 -167.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.32 -167.79 36.73 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 126.144 1.83 . . . . 0.0 112.485 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -72.2 9.71 0.93 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.48 -2.32 17.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.106 -1.621 . . . . 0.0 113.475 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -79.19 150.4 31.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.305 1.442 . . . . 0.0 111.527 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -101.11 138.5 38.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.495 1.118 . . . . 0.0 113.882 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.0 mt -80.76 170.82 15.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.819 2.048 . . . . 0.0 111.128 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.98 65.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -170.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -95.39 2.87 54.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 120.111 1.323 . . . . 0.0 113.36 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.55 79.57 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 125.268 1.413 . . . . 0.0 115.423 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 m -66.07 142.85 57.65 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.93 1.365 . . . . 0.0 110.938 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -73.09 142.98 47.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.551 -0.718 . . . . 0.0 111.451 170.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.53 149.3 47.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.917 0.865 . . . . 0.0 111.741 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.66 -35.15 65.21 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.806 0.842 . . . . 0.0 112.676 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -161.96 167.23 24.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.174 1.79 . . . . 0.0 112.312 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.96 94.94 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 125.054 1.311 . . . . 0.0 115.711 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -67.36 -41.23 85.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.983 1.891 . . . . 0.0 111.818 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.91 82.28 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.97 74.9 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.939 1.295 . . . . 0.0 113.374 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -31.42 25.7 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.443 1.097 . . . . 0.0 113.21 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -21.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -174.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.61 -20.8 65.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.681 -1.262 . . . . 0.0 113.049 172.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.76 -6.54 59.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.697 1.199 . . . . 0.0 112.806 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.66 104.61 11.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 120.086 1.312 . . . . 0.0 109.978 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.3 m -86.31 -17.65 34.02 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -168.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -109.86 -12.86 14.54 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.169 0.988 . . . . 0.0 113.209 173.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.32 57.33 4.74 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 119.35 0.977 . . . . 0.0 112.465 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 p30 -112.96 -1.98 14.39 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.596 1.558 . . . . 0.0 113.094 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.271 15.1 t-20 67.22 31.95 6.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 125.947 1.699 . . . . 0.0 114.806 -175.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.6 pt -139.14 152.59 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 125.942 1.697 . . . . 0.0 112.131 163.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mm -101.41 116.19 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.45 1.1 . . . . 0.0 108.089 167.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -147.82 168.28 22.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.418 1.487 . . . . 0.0 112.365 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.74 -25.64 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.65 63.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.06 135.61 51.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.827 1.194 . . . . 0.0 112.037 172.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -16.1 60.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.84 -36.11 74.02 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -73.49 -18.97 61.05 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 121.378 -0.826 . . . . 0.0 113.175 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -91.57 -15.91 27.94 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.773 1.629 . . . . 0.0 115.107 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.66 146.21 55.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.897 0.879 . . . . 0.0 112.456 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -141.66 168.09 20.59 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.553 1.941 . . . . 0.0 111.139 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.24 131.64 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 124.996 1.319 . . . . 0.0 109.388 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -99.97 129.25 46.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.358 1.063 . . . . 0.0 111.211 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.82 100.89 7.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.196 1.798 . . . . 0.0 109.07 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -72.21 92.22 1.35 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.162 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 -22.47 66.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -167.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -115.65 10.1 15.43 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 171.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 58.37 29.07 17.66 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 117.943 2.572 . . . . 0.0 117.943 170.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -101.56 -8.05 22.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 119.84 -1.787 . . . . 0.0 115.788 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.57 6.75 88.22 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 124.467 1.032 . . . . 0.0 115.049 -177.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.4 131.08 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 125.009 1.323 . . . . 0.0 107.84 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -86.59 145.43 26.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.312 0.96 . . . . 0.0 113.434 -176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -143.42 149.98 38.41 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 126.363 1.865 . . . . 0.0 110.598 171.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.51 72.66 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -62.06 -19.8 63.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.662 1.585 . . . . 0.0 114.074 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -97.33 -5.39 36.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.537 1.535 . . . . 0.0 113.072 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.8 mt -90.19 155.97 18.65 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 124.413 1.085 . . . . 0.0 111.615 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -139.8 151.02 45.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.364 1.866 . . . . 0.0 111.103 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.7 p -72.71 164.95 25.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.808 1.243 . . . . 0.0 112.449 167.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.19 -42.68 79.57 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.347 -0.845 . . . . 0.0 111.53 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.99 -42.26 99.8 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.351 0.66 . . . . 0.0 112.454 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.92 -14.25 61.43 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.3 mt -97.25 1.25 49.42 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.921 1.689 . . . . 0.0 113.665 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 25.81 62.5 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.285 1.421 . . . . 0.0 114.704 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 59.9 mt -98.25 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 125.645 1.578 . . . . 0.0 110.517 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -119.82 -43.34 2.57 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.965 1.706 . . . . 0.0 113.849 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 84.1 p -155.41 159.4 39.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.453 -1.404 . . . . 0.0 113.096 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.12 134.59 54.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.76 1.224 . . . . 0.0 109.822 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -81.87 132.16 35.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.285 0.493 . . . . 0.0 110.758 172.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -92.27 -0.65 57.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.276 -0.89 . . . . 0.0 113.305 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.52 141.33 30.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.532 1.133 . . . . 0.0 111.625 166.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -144.94 171.37 14.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.018 1.327 . . . . 0.0 111.916 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -128.58 142.24 51.11 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.363 1.065 . . . . 0.0 109.599 163.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -76.76 127.69 33.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 123.825 0.85 . . . . 0.0 111.07 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.2 -20.62 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.739 1.616 . . . . 0.0 114.859 -169.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 47.7 41.79 14.36 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.459 1.904 . . . . 0.0 114.952 172.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.29 115.16 15.76 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 111.982 -173.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -64.08 122.73 17.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.807 0.843 . . . . 0.0 110.103 171.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.23 14.25 22.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.641 1.577 . . . . 0.0 112.528 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.3 165.74 32.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 125.394 1.473 . . . . 0.0 114.394 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 56.73 16.1 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.6 0.48 52.97 Favored Glycine 0 C--N 1.34 0.766 0 C-N-CA 125.561 1.553 . . . . 0.0 115.066 -176.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.46 135.88 35.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.914 1.357 . . . . 0.0 111.819 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.5 m -138.33 126.04 22.26 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.927 1.291 . . . . 0.0 111.62 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.27 104.53 12.65 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.872 -1.143 . . . . 0.0 109.342 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.62 20.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.673 0.789 . . . . 0.0 112.424 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -128.71 136.5 50.68 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.374 1.87 . . . . 0.0 110.25 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -127.62 141.7 51.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 125.274 1.43 . . . . 0.0 112.267 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.78 -155.0 7.0 Favored Glycine 0 C--N 1.338 0.671 0 C-N-CA 126.916 2.198 . . . . 0.0 111.573 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 99.5 p -130.11 163.05 27.43 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -121.36 160.52 23.86 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.657 1.583 . . . . 0.0 110.039 161.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.9 m -110.74 138.92 46.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.659 1.183 . . . . 0.0 110.127 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.31 167.84 13.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.312 1.845 . . . . 0.0 112.976 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 11.2 p -57.38 -24.84 57.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.278 1.431 . . . . 0.0 113.576 171.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -95.6 13.84 24.91 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 113.655 173.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 76.25 -9.82 18.46 Favored Glycine 0 C--N 1.338 0.642 0 O-C-N 120.666 -1.271 . . . . 0.0 116.132 174.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.8 p -70.39 159.89 33.34 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.128 1.371 . . . . 0.0 112.274 170.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.9 p -115.41 153.1 31.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.54 163.12 35.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.737 2.015 . . . . 0.0 111.675 -174.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.75 145.05 34.65 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.4 ptm -149.8 166.64 28.84 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 164.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.56 173.16 45.03 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -86.81 104.41 16.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 110.376 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 45.4 tp -93.42 116.61 29.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.427 1.491 . . . . 0.0 110.649 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 68.1 mt -74.97 124.54 27.13 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 57.4 mt -97.62 141.21 30.94 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.547 1.139 . . . . 0.0 111.433 -169.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.85 137.29 57.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -125.17 154.88 40.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -161.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -56.82 138.01 54.03 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.578 1.151 . . . . 0.0 113.14 -174.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 59.25 -18.08 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 129.803 3.241 . . . . 0.0 117.433 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 61.8 tp -86.98 -40.63 14.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.037 1.735 . . . . 0.0 113.363 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -110.11 38.17 2.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.515 1.126 . . . . 0.0 112.513 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 11.5 m -66.16 122.53 17.65 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.533 -1.355 . . . . 0.0 111.419 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -140.92 -19.89 0.81 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.669 1.588 . . . . 0.0 114.928 -175.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -80.76 113.27 18.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 119.826 1.194 . . . . 0.0 110.685 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 47.8 tp -158.52 102.58 1.73 Allowed 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.746 1.618 . . . . 0.0 110.168 -171.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--O 1.247 0.958 0 C-N-CA 124.492 1.117 . . . . 0.0 113.94 -168.113 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.482 0 N-CA-C 113.428 0.511 . . . . 0.0 113.428 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.86 130.1 43.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.49 144.96 50.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.646 2.378 . . . . 0.0 111.273 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.45 134.28 55.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.339 1.456 . . . . 0.0 110.453 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -81.46 112.25 18.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.355 0.662 . . . . 0.0 109.305 165.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 mt -90.82 -42.13 10.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -90.36 9.29 29.52 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.49 38.07 29.46 Favored Glycine 0 CA--C 1.523 0.59 0 O-C-N 120.809 -1.182 . . . . 0.0 115.577 161.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -137.92 13.17 2.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.48 1.112 . . . . 0.0 113.549 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.81 159.02 30.55 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 126.456 1.979 . . . . 0.0 114.081 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.86 130.66 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 O-C-N 121.473 -1.016 . . . . 0.0 108.932 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -118.72 141.5 48.56 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.084 0.954 . . . . 0.0 112.777 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -136.65 138.22 40.88 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.244 1.017 . . . . 0.0 113.309 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -145.94 170.34 5.57 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 126.33 1.852 . . . . 0.0 110.633 -169.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.78 133.11 44.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.793 -0.567 . . . . 0.0 111.223 163.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 p -122.36 159.13 28.13 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 127.079 2.152 . . . . 0.0 111.285 172.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -81.57 42.05 0.67 Allowed 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.024 1.73 . . . . 0.0 113.319 -169.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.79 176.34 53.85 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 125.168 1.366 . . . . 0.0 114.3 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -80.16 138.59 36.91 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 124.972 1.309 . . . . 0.0 110.727 163.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -157.73 144.78 18.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.503 1.121 . . . . 0.0 109.85 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.24 -22.77 70.02 Favored Glycine 0 C--N 1.339 0.704 0 O-C-N 121.118 -0.989 . . . . 0.0 113.93 172.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -70.75 -3.83 20.73 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.859 1.664 . . . . 0.0 115.356 -174.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt -141.38 144.54 34.57 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.861 2.065 . . . . 0.0 111.122 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -131.9 -13.28 3.23 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 125.642 1.577 . . . . 0.0 115.142 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -138.83 38.52 2.18 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.99 1.716 . . . . 0.0 112.324 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -61.65 157.56 17.34 Favored 'General case' 0 CA--C 1.515 -0.389 0 O-C-N 120.336 -1.477 . . . . 0.0 112.311 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -70.84 -25.03 62.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.091 1.357 . . . . 0.0 114.301 -171.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -73.25 162.11 29.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -165.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.12 141.6 43.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.686 1.194 . . . . 0.0 113.235 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.2 -132.57 11.17 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 125.985 1.755 . . . . 0.0 113.247 -175.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.9 pt -74.15 145.75 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 117.892 0.846 . . . . 0.0 109.837 163.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -88.79 56.86 3.91 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.756 -1.215 . . . . 0.0 112.495 -169.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -142.55 157.81 44.33 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.222 1.009 . . . . 0.0 111.355 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.62 167.99 23.16 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.396 1.079 . . . . 0.0 111.523 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.4 p -131.22 138.71 49.48 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.431 1.892 . . . . 0.0 112.112 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.04 122.23 6.49 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 168.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -152.46 172.98 15.7 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.049 0.94 . . . . 0.0 111.202 -172.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.76 146.47 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 123.028 1.394 . . . . 0.0 113.077 175.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -56.92 154.37 9.58 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 126.612 1.965 . . . . 0.0 111.976 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.12 -18.24 65.22 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.27 -19.0 54.57 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -110.32 -176.73 3.06 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.309 1.844 . . . . 0.0 112.174 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.56 166.11 37.11 Favored Glycine 0 CA--C 1.519 0.301 0 O-C-N 121.135 -0.978 . . . . 0.0 114.474 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.1 mt -97.93 140.8 31.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.644 1.177 . . . . 0.0 111.27 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.34 129.15 36.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.99 0.516 . . . . 0.0 109.661 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.3 m -145.12 165.2 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.347 1.459 . . . . 0.0 111.883 -173.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -146.45 130.89 17.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.007 0.923 . . . . 0.0 109.958 159.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.69 115.65 9.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.9 -14.54 50.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -170.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -130.37 5.99 4.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.4 23.57 73.5 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-O 118.921 -0.933 . . . . 0.0 115.342 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -85.88 -1.02 56.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.227 1.411 . . . . 0.0 114.522 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.9 11.56 83.7 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 125.033 1.302 . . . . 0.0 115.306 175.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.42 155.0 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.285 1.834 . . . . 0.0 112.097 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.99 112.39 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 125.751 1.62 . . . . 0.0 107.735 167.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -133.72 -2.43 2.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -139.02 146.84 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.868 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.49 -26.84 64.99 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.62 1.105 . . . . 0.0 115.614 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.39 -2.72 56.45 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.304 1.552 . . . . 0.0 114.631 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.76 -20.11 50.7 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.971 1.26 . . . . 0.0 112.413 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.54 163.14 23.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.335 2.254 . . . . 0.0 110.052 167.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 63.8 m-85 -99.78 106.77 18.69 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 121.356 -0.84 . . . . 0.0 110.514 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.31 -159.3 22.19 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.572 1.082 . . . . 0.0 112.946 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -75.84 6.8 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -94.71 -8.17 38.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.372 1.469 . . . . 0.0 112.98 166.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.8 m -77.51 136.93 38.37 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 119.758 1.163 . . . . 0.0 111.342 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -104.35 133.81 48.62 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.45 1.5 . . . . 0.0 110.529 173.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.2 mt -94.54 170.1 9.71 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.467 1.907 . . . . 0.0 112.216 -171.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.87 -22.95 65.09 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.523 -1.361 . . . . 0.0 114.5 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -78.9 2.02 21.58 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.26 -3.76 85.3 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 126.316 1.913 . . . . 0.0 115.051 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -84.75 157.6 20.98 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 120.373 2.086 . . . . 0.0 113.404 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -83.42 139.5 32.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.869 -1.145 . . . . 0.0 111.779 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.09 58.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.827 1.251 . . . . 0.0 112.907 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -72.06 -32.43 67.07 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.135 -0.978 . . . . 0.0 113.513 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.88 170.47 22.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.192 1.797 . . . . 0.0 111.853 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.34 -24.72 65.91 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.999 1.285 . . . . 0.0 115.011 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -70.65 -44.09 67.84 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 118.383 1.092 . . . . 0.0 111.84 173.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.56 72.73 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 118.97 0.804 . . . . 0.0 112.478 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.65 -51.54 64.73 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.377 0.671 . . . . 0.0 112.234 170.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.2 tp -72.08 -32.76 67.34 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 121.045 -1.035 . . . . 0.0 113.256 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.1 61.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.81 -20.8 64.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.007 -1.058 . . . . 0.0 112.953 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.6 mt -96.62 1.26 51.0 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -164.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -73.75 124.02 25.23 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.728 1.149 . . . . 0.0 111.867 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.9 p -89.61 -13.7 36.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.514 1.525 . . . . 0.0 114.716 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -110.54 -22.42 11.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -168.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.73 30.16 66.53 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 119.033 0.833 . . . . 0.0 113.311 -166.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -97.75 -5.24 35.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 124.772 1.229 . . . . 0.0 113.018 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.6 t30 62.11 28.56 17.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.981 1.712 . . . . 0.0 114.451 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.1 pt -135.02 153.56 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.415 1.486 . . . . 0.0 111.284 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -99.72 116.2 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -146.73 177.11 9.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.73 1.612 . . . . 0.0 111.328 -173.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.72 -16.6 41.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -173.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -20.5 65.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 170.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -91.3 139.89 30.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.046 1.739 . . . . 0.0 112.939 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.82 81.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.69 67.86 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -57.08 -30.84 64.65 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.603 1.161 . . . . 0.0 113.289 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -80.69 -20.72 42.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -111.1 -12.83 14.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 125.625 1.57 . . . . 0.0 114.732 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.3 141.53 58.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.873 1.269 . . . . 0.0 112.355 169.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -136.74 165.47 25.84 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.027 1.731 . . . . 0.0 111.324 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.48 126.21 75.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 124.379 1.072 . . . . 0.0 108.139 167.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -91.13 118.55 30.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.734 0.697 . . . . 0.0 110.195 172.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -100.41 117.45 34.62 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.259 1.023 . . . . 0.0 109.965 165.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -83.2 74.43 10.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.918 -1.114 . . . . 0.0 109.822 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.1 mt -58.24 -31.09 67.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 126.121 1.768 . . . . 0.0 114.587 -166.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -111.03 14.15 21.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.095 1.358 . . . . 0.0 114.425 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 57.25 60.49 2.91 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.172 1.789 . . . . 0.0 114.284 159.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -141.49 7.24 1.92 Allowed 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.66 -0.91 47.92 Favored Glycine 0 N--CA 1.44 -1.077 0 O-C-N 120.12 -1.613 . . . . 0.0 115.878 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.6 mt -98.18 128.64 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 p -87.25 156.91 19.45 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.03 -1.043 . . . . 0.0 112.383 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -137.69 156.27 48.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 124.8 1.24 . . . . 0.0 110.918 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.48 -25.15 66.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -76.44 -22.62 54.4 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.486 1.514 . . . . 0.0 113.885 168.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -85.5 -17.21 37.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.495 1.518 . . . . 0.0 113.619 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.35 126.1 30.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.763 1.225 . . . . 0.0 110.482 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 -111.16 143.74 41.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.119 2.168 . . . . 0.0 110.968 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.2 p -77.15 161.22 28.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.821 1.648 . . . . 0.0 111.213 168.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.42 -33.21 71.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.43 -0.794 . . . . 0.0 111.317 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.77 -41.7 82.89 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.401 1.08 . . . . 0.0 113.095 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.33 -25.62 62.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 119.22 0.918 . . . . 0.0 113.129 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.71 4.08 23.19 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 125.505 1.522 . . . . 0.0 112.823 169.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.37 26.2 74.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.576 1.56 . . . . 0.0 113.987 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.8 mt -82.78 137.93 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 119.034 1.417 . . . . 0.0 110.536 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -99.48 -45.38 5.84 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.415 1.886 . . . . 0.0 111.365 170.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.8 p -156.58 159.76 38.82 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 28.7 mt -112.65 136.56 52.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 126.386 1.874 . . . . 0.0 108.832 167.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -85.29 137.1 33.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.687 0.795 . . . . 0.0 111.202 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.57 -11.49 39.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.214 1.005 . . . . 0.0 113.51 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.93 142.01 35.51 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.74 0.816 . . . . 0.0 111.509 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -145.96 172.92 12.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.651 1.18 . . . . 0.0 111.669 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -133.84 143.09 48.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.124 1.77 . . . . 0.0 109.871 166.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -66.98 133.55 50.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.591 1.157 . . . . 0.0 109.884 171.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.1 p -136.6 -37.28 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -167.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.2 m120 50.08 56.91 7.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 127.183 2.193 . . . . 0.0 114.518 171.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -107.21 131.95 53.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.951 1.701 . . . . 0.0 112.577 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -75.86 125.01 28.27 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 123.696 0.798 . . . . 0.0 110.178 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 19.2 mt -100.54 -27.1 13.59 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.13 7.63 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.998 1.285 . . . . 0.0 112.67 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 53.88 30.16 11.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.271 1.828 . . . . 0.0 114.55 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.29 12.84 81.66 Favored Glycine 0 C--N 1.334 0.436 0 O-C-N 120.835 -1.165 . . . . 0.0 115.003 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -100.56 142.28 32.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 118.989 1.395 . . . . 0.0 110.951 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.3 m -135.9 123.99 22.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.584 0.753 . . . . 0.0 111.893 -169.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.61 110.43 14.93 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.857 -1.152 . . . . 0.0 109.301 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.98 -43.99 11.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -128.15 145.29 51.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.555 1.542 . . . . 0.0 110.233 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -138.15 144.88 40.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.392 1.077 . . . . 0.0 113.432 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.7 -160.03 9.93 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 127.672 2.558 . . . . 0.0 113.07 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -127.07 168.1 15.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -138.84 159.55 41.86 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.415 1.486 . . . . 0.0 111.239 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 m -122.66 143.48 49.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.256 1.423 . . . . 0.0 111.513 -170.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.91 162.18 13.23 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.405 1.882 . . . . 0.0 113.091 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 38.5 p -60.27 -36.08 76.98 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.954 -1.091 . . . . 0.0 112.358 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -76.69 2.73 13.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.56 0.86 89.32 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 79.0 p -72.94 161.1 31.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 119.827 1.813 . . . . 0.0 112.395 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 18.7 p -121.55 150.47 41.61 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.724 1.609 . . . . 0.0 112.856 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.83 172.18 13.38 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 127.16 2.184 . . . . 0.0 111.531 -170.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.0 140.57 48.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.87 1.268 . . . . 0.0 113.983 -165.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 24.6 ptm -149.96 169.12 21.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.664 1.185 . . . . 0.0 112.139 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.99 177.23 48.27 Favored Glycine 0 CA--C 1.52 0.402 0 O-C-N 121.429 -0.795 . . . . 0.0 114.184 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.28 119.96 31.77 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 124.012 0.925 . . . . 0.0 110.628 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.1 tp -110.81 119.48 39.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.233 1.813 . . . . 0.0 110.62 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.47 105.45 6.5 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.434 1.494 . . . . 0.0 109.644 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.51 137.17 42.32 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.347 1.459 . . . . 0.0 110.834 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.88 146.67 54.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.194 0.998 . . . . 0.0 111.73 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.58 156.24 27.79 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 121.261 -0.899 . . . . 0.0 113.37 -176.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.64 141.55 34.33 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 118.692 -2.505 . . . . 0.0 112.305 -14.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.28 -166.24 2.27 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 126.001 1.721 . . . . 0.0 110.284 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.32 -30.03 64.45 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 119.854 -1.779 . . . . 0.0 114.073 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -70.8 -41.98 70.9 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 120.185 1.357 . . . . 0.0 112.214 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.3 m -58.84 -50.1 75.23 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.835 1.254 . . . . 0.0 110.26 170.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -76.55 4.99 8.11 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.6 -32.07 65.67 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.386 0.994 . . . . 0.0 112.352 170.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 74.2 mt -97.1 136.52 37.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.81 1.244 . . . . 0.0 111.89 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 . . . . . 0 C--O 1.247 0.956 0 C-N-CA 127.358 2.263 . . . . 0.0 111.397 -176.485 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.253 0 N-CA-C 112.637 0.207 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.57 125.87 26.07 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.25 148.22 51.16 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.423 2.289 . . . . 0.0 111.463 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.77 137.31 52.29 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.504 1.522 . . . . 0.0 110.489 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -79.01 105.24 10.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.029 1.331 . . . . 0.0 109.722 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -31.99 19.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -101.89 -5.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.4 5.46 63.46 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 118.459 2.144 . . . . 0.0 118.459 167.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -96.9 21.69 9.3 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.442 1.621 . . . . 0.0 113.958 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.99 158.89 33.2 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 126.076 1.798 . . . . 0.0 113.469 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.41 123.31 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.75 160.8 37.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -174.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.5 p -127.92 160.98 30.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.775 1.63 . . . . 0.0 113.611 -166.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -145.59 150.31 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 C-N-CA 126.107 1.763 . . . . 0.0 110.271 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.33 171.27 13.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.939 1.296 . . . . 0.0 113.073 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -127.6 128.97 46.46 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.966 0.906 . . . . 0.0 110.442 -176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -65.94 136.59 56.3 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 124.799 1.24 . . . . 0.0 112.12 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.24 -162.36 31.93 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 115.275 0.87 . . . . 0.0 115.275 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -119.68 5.3 11.02 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 127.089 2.156 . . . . 0.0 113.622 175.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -72.97 167.16 21.64 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.309 1.844 . . . . 0.0 113.266 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.88 -172.35 48.37 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 124.608 1.099 . . . . 0.0 115.811 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.3 m -136.83 -29.43 0.93 Allowed 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.601 1.56 . . . . 0.0 114.986 177.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.3 mt -105.58 148.49 27.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.022 1.729 . . . . 0.0 112.315 -172.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -158.38 155.56 28.91 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 126.03 1.732 . . . . 0.0 110.942 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -70.73 -51.16 29.14 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 125.15 1.38 . . . . 0.0 111.996 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.84 178.94 9.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 126.926 2.09 . . . . 0.0 111.501 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -126.11 33.64 5.0 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.01 1.324 . . . . 0.0 111.736 165.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -72.93 -28.01 62.19 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 125.455 1.502 . . . . 0.0 112.251 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -77.29 -42.81 35.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.669 1.188 . . . . 0.0 111.434 169.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.75 161.41 23.84 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 125.462 1.506 . . . . 0.0 112.216 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -75.56 122.53 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 O-C-N 121.536 -0.979 . . . . 0.0 111.618 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -70.31 148.0 49.0 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 127.187 2.195 . . . . 0.0 113.364 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -68.61 129.26 39.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.844 1.258 . . . . 0.0 111.304 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.26 139.95 42.87 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -170.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.8 p -117.81 -18.48 9.56 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.738 2.015 . . . . 0.0 112.916 172.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.26 121.91 1.54 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 126.007 1.765 . . . . 0.0 110.914 167.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -138.41 171.75 13.91 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.493 1.517 . . . . 0.0 111.92 -161.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.52 138.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 O-C-N 121.374 -0.829 . . . . 0.0 111.236 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.0 t -61.37 157.68 16.18 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.202 1.401 . . . . 0.0 113.328 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.17 -12.0 60.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.02 -24.25 30.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 120.059 -1.651 . . . . 0.0 112.941 171.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.31 -179.19 3.85 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 127.738 2.415 . . . . 0.0 112.47 -176.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.47 169.11 36.89 Favored Glycine 0 C--N 1.339 0.713 0 O-C-N 120.132 -1.605 . . . . 0.0 115.892 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -98.09 144.2 27.83 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 125.432 1.493 . . . . 0.0 112.101 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.8 128.51 33.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.303 0.641 . . . . 0.0 109.963 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.5 m -143.61 163.28 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 124.319 1.048 . . . . 0.0 113.827 -171.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -154.05 114.57 3.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.658 1.183 . . . . 0.0 111.805 164.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -69.27 120.88 15.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.745 1.218 . . . . 0.0 110.619 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.0 mt -78.1 -6.7 55.49 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 120.88 -1.138 . . . . 0.0 113.568 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -88.15 -17.47 30.86 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.865 1.266 . . . . 0.0 112.608 167.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.18 27.03 73.88 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.959 -1.088 . . . . 0.0 115.183 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -108.17 -17.17 14.09 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.216 1.406 . . . . 0.0 113.29 176.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.14 23.66 29.04 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 125.478 1.513 . . . . 0.0 115.43 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.6 114.55 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.552 1.176 . . . . 0.0 108.639 172.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -90.07 104.65 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.79 1.636 . . . . 0.0 108.509 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -140.99 -5.23 1.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -174.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -119.93 142.92 48.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.388 1.475 . . . . 0.0 111.789 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.06 -21.39 56.07 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.749 1.059 . . . . 0.0 115.749 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.05 -0.97 15.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 173.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -105.33 -11.39 16.5 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.777 2.031 . . . . 0.0 113.141 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.5 mt -88.38 163.68 15.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.839 2.056 . . . . 0.0 110.002 158.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -101.5 112.49 25.06 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.773 0.829 . . . . 0.0 111.918 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.29 -160.9 25.84 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 126.227 1.87 . . . . 0.0 112.796 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.16 -19.54 62.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.29 7.82 23.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.519 1.128 . . . . 0.0 112.681 175.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -99.06 145.44 27.11 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 120.383 -1.448 . . . . 0.0 110.974 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.5 155.37 23.39 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.734 0.778 . . . . 0.0 113.049 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.9 mt -90.74 172.5 8.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 109.816 162.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.31 -14.72 63.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -89.51 -1.7 58.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 120.662 -1.273 . . . . 0.0 113.983 173.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.08 3.32 85.26 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 125.35 1.452 . . . . 0.0 115.425 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.0 p -78.08 157.3 29.58 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 119.117 1.458 . . . . 0.0 111.142 168.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -84.9 143.56 28.94 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 120.288 -1.508 . . . . 0.0 112.419 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.02 155.64 38.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -62.7 -42.29 99.57 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.339 1.055 . . . . 0.0 111.87 168.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -159.24 163.96 35.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.802 1.641 . . . . 0.0 112.154 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.27 93.93 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.127 1.346 . . . . 0.0 115.483 -174.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -63.79 -30.68 71.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.123 1.461 . . . . 0.0 112.748 173.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.64 62.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.254 0.934 . . . . 0.0 112.237 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.97 79.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.16 -35.48 61.6 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 124.916 1.286 . . . . 0.0 112.34 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.02 -19.02 64.88 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.54 -20.58 64.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.787 1.235 . . . . 0.0 113.934 171.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.7 mt -94.2 -4.69 48.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.757 1.223 . . . . 0.0 114.216 -171.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -72.46 125.53 27.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 118.961 0.801 . . . . 0.0 110.777 170.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -90.73 -33.65 15.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -171.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -112.65 -3.4 14.3 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.004 1.721 . . . . 0.0 115.095 -171.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.97 21.08 77.01 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 115.771 1.068 . . . . 0.0 115.771 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -77.24 -5.44 49.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.201 1.501 . . . . 0.0 113.077 172.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.261 8.2 t30 63.74 25.23 14.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.897 2.479 . . . . 0.0 114.038 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.07 151.72 35.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.322 1.449 . . . . 0.0 111.054 169.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.4 mm -97.86 114.83 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -147.65 172.77 13.53 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.718 1.207 . . . . 0.0 111.813 -172.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.44 -17.49 31.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -167.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.19 -18.24 50.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.45 135.09 37.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.274 1.03 . . . . 0.0 110.956 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.17 75.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 120.716 -1.24 . . . . 0.0 113.858 -173.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.46 66.74 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.91 -27.24 68.68 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 119.708 1.14 . . . . 0.0 113.312 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.37 -16.03 50.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -113.21 -16.78 12.49 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 115.837 1.792 . . . . 0.0 115.837 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.61 148.05 49.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.055 1.342 . . . . 0.0 110.905 166.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -138.29 170.73 15.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.508 1.923 . . . . 0.0 110.405 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -120.64 123.95 71.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 C-N-CA 124.748 1.219 . . . . 0.0 109.635 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -93.49 114.14 26.44 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.703 1.201 . . . . 0.0 110.976 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -109.16 97.07 6.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.441 1.097 . . . . 0.0 108.84 167.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.79 122.12 21.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.539 0.736 . . . . 0.0 110.371 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.2 mt -83.39 -5.49 59.16 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.144 0.978 . . . . 0.0 113.355 -173.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -111.65 -11.63 13.99 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.251 1.821 . . . . 0.0 112.248 170.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 51.08 35.63 13.49 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.864 2.066 . . . . 0.0 113.738 -166.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -101.25 -11.31 19.59 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.67 16.61 76.1 Favored Glycine 0 N--CA 1.446 -0.635 0 O-C-N 121.065 -1.022 . . . . 0.0 114.47 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.6 113.94 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 166.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -85.79 139.79 31.01 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.899 -1.125 . . . . 0.0 112.977 -165.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -129.83 144.15 51.16 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.835 1.254 . . . . 0.0 109.293 168.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.22 -27.66 68.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -172.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -61.55 -27.4 68.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.97 0.908 . . . . 0.0 112.924 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.3 -10.0 59.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.341 1.456 . . . . 0.0 113.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.6 mp -98.4 130.08 45.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.071 0.948 . . . . 0.0 109.895 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.426 HH21 ' CD ' ' A' ' 124' ' ' GLU . 7.1 mmm180 -115.79 154.21 30.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.806 2.042 . . . . 0.0 111.36 176.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.1 p -80.63 152.86 28.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.279 1.032 . . . . 0.0 112.833 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.49 -35.89 80.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.571 0.749 . . . . 0.0 111.556 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.94 -33.01 65.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.426 ' CD ' HH21 ' A' ' 120' ' ' ARG . 36.3 tt0 -66.01 -34.88 79.1 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 119.053 0.842 . . . . 0.0 112.21 172.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.34 7.84 18.11 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.808 1.243 . . . . 0.0 113.717 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.46 27.59 73.7 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.127 -0.983 . . . . 0.0 114.74 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -83.23 132.24 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 119.106 1.453 . . . . 0.0 110.285 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -94.59 -51.73 4.61 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 111.016 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.4 p -157.18 160.31 38.61 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.477 1.111 . . . . 0.0 112.767 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt -112.33 136.18 52.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.882 1.673 . . . . 0.0 110.252 171.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -90.36 125.79 35.66 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.158 0.983 . . . . 0.0 111.571 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.66 -15.28 59.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.24 0.927 . . . . 0.0 113.219 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.02 140.12 48.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 119.822 1.192 . . . . 0.0 111.562 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -145.17 166.96 23.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.972 0.909 . . . . 0.0 112.68 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -129.16 148.34 51.09 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.802 2.041 . . . . 0.0 110.195 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -78.35 126.46 30.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.272 1.429 . . . . 0.0 110.95 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.65 -27.19 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 44.69 41.01 4.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 126.497 1.919 . . . . 0.0 115.739 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -76.57 116.53 17.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.76 0.824 . . . . 0.0 110.238 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -83.29 107.5 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.695 0.798 . . . . 0.0 109.359 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.3 mt -91.28 5.5 48.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -168.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.71 171.85 37.56 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 124.598 1.095 . . . . 0.0 113.156 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.02 29.57 3.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.247 1.819 . . . . 0.0 114.799 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.62 89.22 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 125.46 1.505 . . . . 0.0 116.278 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -95.31 145.68 24.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.473 1.636 . . . . 0.0 112.84 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.1 m -144.89 137.93 26.6 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.126 1.37 . . . . 0.0 109.958 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.0 tp -96.77 107.32 19.77 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 0.0 109.691 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.52 -49.75 8.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -127.39 141.92 51.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 126.787 2.035 . . . . 0.0 109.563 -175.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -138.89 142.98 38.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.316 1.046 . . . . 0.0 112.383 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.73 -147.89 4.62 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 127.14 2.305 . . . . 0.0 110.708 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 85.3 p -129.25 166.03 20.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -130.42 159.77 36.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.995 1.718 . . . . 0.0 109.418 157.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 98.6 m -111.86 134.46 53.4 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.598 1.159 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -92.9 159.05 15.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.11 1.764 . . . . 0.0 111.789 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.0 p -66.73 -17.99 65.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.22 1.408 . . . . 0.0 114.766 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -83.11 3.15 31.87 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.15 1.78 . . . . 0.0 114.607 170.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.5 2.81 87.02 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.394 1.473 . . . . 0.0 115.806 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 5.3 m -82.79 148.74 27.62 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.572 1.686 . . . . 0.0 110.844 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 35.8 p -105.95 146.59 29.83 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.561 0.744 . . . . 0.0 111.455 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.79 155.65 46.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 111.366 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -71.69 144.68 49.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.754 0.788 . . . . 0.0 112.395 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.1 ptm -141.15 161.42 37.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.606 0.762 . . . . 0.0 109.915 159.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.74 173.24 46.15 Favored Glycine 0 C--N 1.336 0.573 0 O-C-N 121.987 -0.446 . . . . 0.0 114.068 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -86.52 102.97 14.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.943 0.897 . . . . 0.0 110.752 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 65.2 tp -102.48 108.34 19.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.642 1.977 . . . . 0.0 109.131 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.08 136.31 44.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.037 1.335 . . . . 0.0 110.206 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 51.1 mt -112.65 130.18 56.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.657 1.983 . . . . 0.0 110.77 -163.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -89.86 131.26 35.88 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.068 0.947 . . . . 0.0 110.786 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -150.46 154.8 38.33 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -175.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -85.29 132.79 34.2 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.461 1.504 . . . . 0.0 113.609 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -86.04 12.39 9.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 -171.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 67.3 mt -88.39 172.44 9.38 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.644 -1.285 . . . . 0.0 110.977 167.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -48.75 137.59 12.1 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.081 1.353 . . . . 0.0 111.622 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 50.9 m -76.6 148.36 37.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.578 0.751 . . . . 0.0 112.864 -171.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -80.68 57.35 2.92 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 125.547 1.539 . . . . 0.0 112.531 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -64.76 155.21 34.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.542 1.137 . . . . 0.0 113.115 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.23 145.53 25.84 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.282 1.033 . . . . 0.0 111.577 -175.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--O 1.25 1.127 0 C-N-CA 126.865 2.066 . . . . 0.0 112.266 -172.298 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.187 0 N-CA-C 114.093 0.766 . . . . 0.0 114.093 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.75 124.83 24.38 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.71 143.82 48.56 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 126.471 1.909 . . . . 0.0 111.514 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -117.12 134.97 54.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 109.872 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -80.44 109.1 14.62 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.142 0.977 . . . . 0.0 109.852 166.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.25 -33.83 17.95 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -99.32 -6.49 27.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 42.66 5.15 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 167.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -138.36 20.27 2.75 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.168 1.387 . . . . 0.0 113.787 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.62 165.47 41.35 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.166 1.841 . . . . 0.0 114.135 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.8 138.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 109.497 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -146.71 158.33 43.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.807 -1.183 . . . . 0.0 113.281 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.0 p -130.82 158.68 39.51 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -164.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 127.829 2.452 . . . . 0.0 110.279 173.881 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.432 0.158 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.62 151.92 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 123.98 0.912 . . . . 0.0 113.027 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 p -53.65 163.19 0.71 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.872 1.269 . . . . 0.0 114.394 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.38 -8.66 48.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -87.59 -32.77 19.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.613 -1.304 . . . . 0.0 113.133 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -100.55 -167.94 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.126 1.771 . . . . 0.0 112.934 -170.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.28 170.13 39.37 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 120.357 -1.465 . . . . 0.0 115.305 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.7 mt -110.79 146.63 36.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.387 1.475 . . . . 0.0 111.939 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 tp -84.16 130.21 34.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.573 0.749 . . . . 0.0 111.156 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.34 165.05 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 C-N-CA 124.47 1.108 . . . . 0.0 112.943 -172.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -145.19 125.1 13.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.127 1.771 . . . . 0.0 109.416 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -80.72 121.76 26.29 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 118.53 0.605 . . . . 0.0 109.457 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.0 mt -105.26 -3.21 23.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.579 1.151 . . . . 0.0 113.94 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -125.78 1.24 7.43 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.29 78.97 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 115.814 1.086 . . . . 0.0 115.814 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -85.53 2.75 43.52 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 119.372 1.586 . . . . 0.0 114.537 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.33 3.28 90.68 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.54 1.543 . . . . 0.0 115.917 174.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.4 pt -138.59 163.44 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 126.15 1.78 . . . . 0.0 112.49 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.6 mm -101.02 112.28 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.0 1.32 . . . . 0.0 109.561 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -146.85 1.04 0.77 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -124.9 148.14 48.47 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 124.939 1.296 . . . . 0.0 111.312 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.32 -22.59 44.86 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 116.919 1.528 . . . . 0.0 116.919 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.72 -10.48 55.56 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.578 1.689 . . . . 0.0 115.298 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -84.9 -13.15 51.77 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -171.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.34 114.41 26.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.131 1.772 . . . . 0.0 109.266 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -64.37 124.96 23.1 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -169.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.71 -164.74 33.39 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.325 0.964 . . . . 0.0 113.014 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -71.17 24.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -128.13 -11.03 5.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.77 2.028 . . . . 0.0 113.056 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -73.26 150.31 42.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 118.988 0.813 . . . . 0.0 110.283 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -104.76 144.99 30.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.916 0.886 . . . . 0.0 113.087 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.13 175.01 10.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.652 2.781 . . . . 0.0 110.983 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.34 69.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -81.52 -3.62 53.65 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.477 -1.389 . . . . 0.0 114.46 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.16 4.42 74.49 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 120.635 -1.291 . . . . 0.0 115.074 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -70.61 147.97 48.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.613 1.706 . . . . 0.0 110.666 167.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -72.2 143.57 48.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.89 -1.131 . . . . 0.0 111.591 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.41 144.83 44.14 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.198 0.999 . . . . 0.0 111.936 171.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -75.14 -27.23 59.69 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.471 ' CD2' HE22 ' A' ' 149' ' ' GLN . 0.7 OUTLIER -159.18 171.0 20.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.744 2.017 . . . . 0.0 110.959 176.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.02 -27.18 66.73 Favored Glycine 0 CA--C 1.521 0.417 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.672 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -68.55 -43.3 76.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 118.837 1.318 . . . . 0.0 112.348 174.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.29 77.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.824 -0.547 . . . . 0.0 112.409 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.49 84.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.792 1.237 . . . . 0.0 113.287 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -78.67 -34.48 46.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 112.979 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.14 -24.6 64.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.1 -23.04 18.69 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 124.954 1.301 . . . . 0.0 114.056 171.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.6 mt -96.43 -5.0 40.7 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.693 1.197 . . . . 0.0 114.011 -170.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -69.51 121.29 16.74 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.154 0.888 . . . . 0.0 109.967 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -84.45 -37.94 20.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -110.87 -10.38 14.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.5 37.85 11.58 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 120.37 1.441 . . . . 0.0 115.047 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -99.48 -2.34 36.21 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.104 1.362 . . . . 0.0 112.41 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.88 25.31 13.96 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.136 2.174 . . . . 0.0 114.991 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.1 pt -132.4 152.93 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.177 1.391 . . . . 0.0 111.56 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.2 mm -100.68 113.4 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -143.45 167.28 22.57 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.234 1.814 . . . . 0.0 111.89 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -19.94 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 -169.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 -21.04 62.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -75.68 125.78 29.72 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.081 1.352 . . . . 0.0 110.597 166.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.9 67.79 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.21 -19.18 63.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -62.0 -35.26 77.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 120.382 -1.448 . . . . 0.0 112.526 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -69.69 -19.26 63.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.474 -0.766 . . . . 0.0 113.057 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -98.49 -24.04 15.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.569 1.947 . . . . 0.0 113.524 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.29 152.28 44.14 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.911 0.884 . . . . 0.0 112.445 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -141.02 164.41 30.35 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.32 1.848 . . . . 0.0 110.485 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.4 t -115.02 132.46 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 124.539 1.136 . . . . 0.0 109.087 168.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -98.44 118.22 34.62 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.006 1.322 . . . . 0.0 109.838 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -112.57 98.2 7.09 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.759 1.224 . . . . 0.0 108.608 168.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.78 123.2 25.85 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.889 0.476 . . . . 0.0 110.454 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.9 mt -87.23 -11.41 49.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -115.79 -2.25 12.44 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 164.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.264 5.4 mp0 58.73 30.25 19.73 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.931 2.092 . . . . 0.0 115.403 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -79.6 -19.95 48.08 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.807 -1.183 . . . . 0.0 113.13 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.8 33.65 71.15 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 124.643 1.116 . . . . 0.0 112.528 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.2 mt -122.78 120.23 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 126.49 1.916 . . . . 0.0 106.538 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.2 t -87.74 134.76 33.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -157.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -123.37 151.16 42.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.512 1.525 . . . . 0.0 110.909 166.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.56 75.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -166.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.46 -16.79 64.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.58 -16.3 54.5 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 125.977 1.711 . . . . 0.0 113.134 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.53 146.0 26.55 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.821 0.848 . . . . 0.0 110.252 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -139.44 153.37 47.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.962 2.105 . . . . 0.0 110.759 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -79.61 165.36 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.106 0.962 . . . . 0.0 112.359 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.39 -38.01 74.62 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.306 -0.872 . . . . 0.0 111.488 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.68 -38.35 80.27 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.858 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.56 -28.69 67.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 120.085 1.311 . . . . 0.0 113.086 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.2 mt -83.68 1.32 43.09 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.101 1.761 . . . . 0.0 112.967 173.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.11 26.15 72.98 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.173 -0.954 . . . . 0.0 114.289 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 98.4 mt -85.28 133.52 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 118.571 1.185 . . . . 0.0 110.246 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.56 -50.21 5.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.311 1.844 . . . . 0.0 111.655 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.1 p -158.21 161.75 37.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.261 1.025 . . . . 0.0 112.878 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.3 mp -115.61 139.62 49.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.253 1.421 . . . . 0.0 109.362 167.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -86.84 137.39 32.44 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.867 0.867 . . . . 0.0 111.518 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.25 -11.29 38.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 119.049 0.841 . . . . 0.0 113.119 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.71 135.89 39.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.951 1.251 . . . . 0.0 112.01 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -141.2 172.06 13.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.318 1.047 . . . . 0.0 113.648 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.46 142.81 45.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.478 2.311 . . . . 0.0 109.973 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -74.22 139.6 44.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 111.382 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.47 -35.65 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.957 1.303 . . . . 0.0 114.065 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 51.31 40.81 27.18 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.666 1.586 . . . . 0.0 113.644 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -89.69 121.09 31.54 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.766 1.626 . . . . 0.0 112.221 -168.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -71.22 125.08 25.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.1 mt -97.32 -34.31 11.11 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.931 0.892 . . . . 0.0 113.141 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.91 158.85 7.75 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 125.677 1.608 . . . . 0.0 112.6 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.5 m120 46.31 36.09 3.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 127.368 2.267 . . . . 0.0 114.97 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.99 -4.72 85.52 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 125.59 1.566 . . . . 0.0 116.745 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -83.56 135.41 34.64 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.091 1.445 . . . . 0.0 111.339 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 62.0 m -135.2 123.0 22.39 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 123.857 0.863 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -76.79 114.48 15.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.09 -52.78 8.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 118.794 0.725 . . . . 0.0 111.874 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.471 HE22 ' CD2' ' A' ' 76' ' ' HIS . 6.9 pt20 -141.37 147.3 37.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 125.634 1.574 . . . . 0.0 111.052 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -133.65 142.09 47.9 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.939 1.295 . . . . 0.0 112.669 -173.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -140.33 -147.99 5.08 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 127.27 2.367 . . . . 0.0 111.233 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.9 m -126.24 164.77 20.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.898 1.279 . . . . 0.0 113.526 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -132.78 163.37 29.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.674 1.589 . . . . 0.0 109.254 155.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.5 m -122.97 139.82 53.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.775 1.23 . . . . 0.0 110.698 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.14 157.66 16.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.588 1.955 . . . . 0.0 111.64 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.2 p -63.84 -24.49 67.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -69.59 -4.4 19.03 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 94.1 -0.29 66.47 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 126.157 1.837 . . . . 0.0 115.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 2.0 m -85.96 151.46 23.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 119.34 1.57 . . . . 0.0 111.578 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.3 p -107.69 153.92 22.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.349 1.06 . . . . 0.0 112.341 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.92 164.12 33.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.479 1.512 . . . . 0.0 111.191 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -80.13 145.86 32.14 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 122.508 1.147 . . . . 0.0 112.991 -173.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.0 ptm -144.5 160.74 40.6 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.808 0.843 . . . . 0.0 110.329 162.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -170.38 172.45 44.04 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 118.424 0.557 . . . . 0.0 113.691 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -90.91 114.45 26.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.6 0.714 . . . . 0.0 109.938 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.8 tp -105.3 121.74 44.49 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.997 1.719 . . . . 0.0 110.731 -171.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 51.5 mt -78.62 121.5 24.74 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.85 1.26 . . . . 0.0 108.787 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 N--CA 1.449 -0.515 0 C-N-CA 124.969 1.308 . . . . 0.0 111.602 -172.207 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 49.9 Cg_exo . . . . . 0 CA--C 1.519 -0.252 0 N-CA-C 113.304 0.463 . . . . 0.0 113.304 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.98 124.44 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.523 1.129 . . . . 0.0 112.703 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.81 143.29 49.49 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.585 2.354 . . . . 0.0 112.044 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -118.06 133.09 56.24 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 127.067 2.147 . . . . 0.0 109.703 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -74.16 120.69 20.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.6 -0.688 . . . . 0.0 109.329 167.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.45 -41.86 13.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -113.45 21.59 15.01 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.124 1.77 . . . . 0.0 114.96 -170.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.42 28.92 68.86 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 118.42 -1.211 . . . . 0.0 116.083 166.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -129.87 13.79 5.81 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.492 1.646 . . . . 0.0 114.324 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.49 162.03 38.04 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.911 1.243 . . . . 0.0 113.49 -173.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -78.86 120.86 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 O-C-N 121.781 -0.835 . . . . 0.0 109.457 -176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.96 132.59 38.27 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.926 1.29 . . . . 0.0 111.778 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -135.23 159.86 40.21 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.598 1.159 . . . . 0.0 113.811 -166.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.444 -0.754 0 C-N-CA 127.311 2.244 . . . . 0.0 111.201 -172.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.4 m -88.16 143.93 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -64.22 160.59 18.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.233 163.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.05 -17.43 52.33 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 120.798 -1.189 . . . . 0.0 114.133 169.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.82 -19.73 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 127.354 2.262 . . . . 0.0 114.595 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -137.41 170.36 16.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.016 2.126 . . . . 0.0 113.919 -176.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.88 153.55 19.8 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 123.989 0.804 . . . . 0.0 114.813 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 mt -101.21 139.32 37.06 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.274 1.83 . . . . 0.0 110.998 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 tp -77.03 127.76 33.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.222 0.609 . . . . 0.0 110.248 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.2 m -144.48 162.33 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.299 1.04 . . . . 0.0 112.64 -170.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -146.25 131.33 18.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.308 1.443 . . . . 0.0 109.921 164.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.77 123.41 23.27 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 122.899 0.48 . . . . 0.0 110.323 169.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.8 1.94 29.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.218 1.407 . . . . 0.0 113.701 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.92 13.45 3.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.48 9.82 69.47 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 170.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -80.84 -6.1 58.15 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.722 2.261 . . . . 0.0 114.034 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.34 89.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 124.895 1.236 . . . . 0.0 115.835 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.1 pt -135.42 166.79 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.914 1.686 . . . . 0.0 112.736 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -100.13 114.61 39.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 125.575 1.55 . . . . 0.0 109.469 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -147.28 -25.22 0.39 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -87.59 148.04 25.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 120.119 1.327 . . . . 0.0 110.866 172.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.22 -18.61 35.87 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 117.146 1.618 . . . . 0.0 117.146 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.68 -14.08 35.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -78.4 -24.5 46.25 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.0 pt? -89.87 134.31 34.27 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.271 1.028 . . . . 0.0 110.348 161.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.0 m-85 -69.97 107.23 3.5 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 122.953 0.501 . . . . 0.0 111.885 -172.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.91 -171.53 23.97 Favored Glycine 0 C--N 1.341 0.846 0 C-N-CA 125.032 1.301 . . . . 0.0 112.1 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -71.34 1.87 5.62 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -100.22 -14.6 18.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.04 1.336 . . . . 0.0 112.902 170.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -68.36 149.53 49.28 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.629 1.172 . . . . 0.0 109.713 163.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -95.31 158.97 15.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.401 1.08 . . . . 0.0 113.513 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.45 169.88 17.41 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.291 1.436 . . . . 0.0 110.833 162.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.4 69.1 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -88.19 13.28 11.73 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 119.754 1.161 . . . . 0.0 113.943 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.49 1.6 86.61 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 126.016 1.769 . . . . 0.0 115.076 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -72.21 161.51 30.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 119.458 1.629 . . . . 0.0 112.487 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -68.82 148.97 49.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.117 0.567 . . . . 0.0 112.353 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.79 148.82 24.49 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 124.856 1.263 . . . . 0.0 111.275 171.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -77.19 -32.48 56.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.78 170.25 22.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 127.827 2.451 . . . . 0.0 111.006 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.53 -28.41 73.59 Favored Glycine 0 C--N 1.338 0.664 0 O-C-N 121.109 -0.995 . . . . 0.0 114.564 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.37 -41.1 94.15 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.833 1.316 . . . . 0.0 112.045 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.27 83.5 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 118.927 0.785 . . . . 0.0 112.554 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.5 81.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.75 -36.8 73.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.051 0.94 . . . . 0.0 112.914 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.51 -19.41 63.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.84 -17.99 64.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.5 mt -94.58 1.21 55.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.84 127.04 32.22 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.329 0.968 . . . . 0.0 110.908 164.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.9 m -88.71 -15.94 33.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -109.61 -21.78 12.28 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -159.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.66 38.34 57.23 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 123.884 0.754 . . . . 0.0 112.664 -165.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 43.3 p30 -110.08 -0.32 18.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.715 1.206 . . . . 0.0 113.253 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 t30 59.58 23.25 11.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 127.147 2.179 . . . . 0.0 115.838 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.5 pt -135.69 154.24 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 124.482 1.113 . . . . 0.0 112.812 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -103.76 114.56 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -147.07 172.27 14.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.625 1.97 . . . . 0.0 111.369 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.26 -16.08 12.64 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.33 -22.28 60.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 171.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -81.48 130.44 35.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.908 1.283 . . . . 0.0 111.164 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.141 -1.6 . . . . 0.0 112.865 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.96 -25.82 65.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 171.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -62.91 -25.84 68.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 O-C-N 120.163 -1.585 . . . . 0.0 112.844 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.17 -25.29 36.93 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.571 1.148 . . . . 0.0 113.583 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 p -101.14 -21.05 15.07 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.75 146.79 44.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 112.284 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -141.6 170.2 16.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 126.933 2.093 . . . . 0.0 110.469 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.9 t -114.89 138.85 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 124.33 1.052 . . . . 0.0 109.158 164.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -118.6 132.44 56.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.462 1.028 . . . . 0.0 109.836 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.49 128.07 45.09 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 124.124 0.969 . . . . 0.0 109.602 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -87.07 79.09 8.79 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.38 1.086 . . . . 0.0 111.251 -172.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.1 -17.38 39.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.468 1.507 . . . . 0.0 113.711 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -112.25 4.21 17.62 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.153 1.381 . . . . 0.0 113.734 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 46.46 60.96 2.99 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 126.52 1.928 . . . . 0.0 113.598 169.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -127.73 -16.87 4.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.055 1.742 . . . . 0.0 113.764 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.42 5.5 82.2 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.149 1.833 . . . . 0.0 115.276 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.1 mt -116.52 140.62 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 127.66 2.384 . . . . 0.0 108.733 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.5 t -93.19 138.74 31.32 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -130.08 144.74 51.51 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.052 1.741 . . . . 0.0 109.552 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -30.13 69.54 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -173.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -73.24 -16.14 61.41 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -86.33 -9.19 56.9 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.533 1.533 . . . . 0.0 113.72 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.8 mp -84.41 135.5 34.25 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.361 -0.837 . . . . 0.0 111.793 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -113.7 144.81 42.32 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 128.318 2.647 . . . . 0.0 110.382 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.1 p -76.47 162.58 27.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.95 0.5 . . . . 0.0 111.656 165.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.01 -39.96 94.18 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.551 -0.718 . . . . 0.0 111.243 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.98 -45.32 94.17 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.878 1.271 . . . . 0.0 112.603 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.79 -19.17 63.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.397 0.999 . . . . 0.0 113.142 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -92.21 -1.79 56.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.976 1.31 . . . . 0.0 113.6 169.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.93 18.72 79.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 124.958 1.266 . . . . 0.0 115.457 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 84.4 mt -78.89 124.84 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 119.093 1.446 . . . . 0.0 109.687 -174.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -92.7 -48.71 6.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.557 1.543 . . . . 0.0 111.697 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.5 p -161.85 161.32 28.91 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 113.015 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.9 mt -107.04 146.52 31.07 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.355 1.462 . . . . 0.0 111.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -93.17 130.85 38.69 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.756 1.222 . . . . 0.0 110.726 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.24 -2.46 58.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.36 147.28 23.15 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.721 1.146 . . . . 0.0 112.18 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -157.12 170.88 21.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.511 1.524 . . . . 0.0 110.831 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -122.92 141.88 51.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.021 1.329 . . . . 0.0 110.129 169.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -71.92 127.79 33.69 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 123.596 0.759 . . . . 0.0 110.254 167.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.4 m -126.86 -23.74 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.924 1.29 . . . . 0.0 113.161 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.7 m120 50.37 36.66 13.56 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 125.078 1.351 . . . . 0.0 113.993 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -80.84 114.08 19.48 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 127.447 2.299 . . . . 0.0 111.132 -165.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -66.43 133.71 50.99 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.859 -0.525 . . . . 0.0 111.175 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.5 mt -117.9 8.56 12.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.94 1.296 . . . . 0.0 113.364 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.62 169.62 26.96 Favored Glycine 0 CA--C 1.523 0.58 0 O-C-N 120.713 -1.242 . . . . 0.0 114.177 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 54.34 28.68 9.68 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.944 1.297 . . . . 0.0 114.232 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.58 3.5 89.66 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.907 1.242 . . . . 0.0 115.932 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -86.17 143.04 28.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.639 1.72 . . . . 0.0 112.344 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -142.16 130.19 21.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 109.942 170.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.7 tp -91.76 107.64 19.35 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.36 -47.64 13.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -170.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -128.52 139.95 52.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.677 1.591 . . . . 0.0 110.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -132.09 140.76 48.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.314 1.446 . . . . 0.0 112.363 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.72 -152.44 5.83 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 128.131 2.777 . . . . 0.0 112.188 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 81.2 p -143.13 170.67 15.3 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -132.97 157.15 45.89 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 127.424 2.289 . . . . 0.0 112.048 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 35.9 m -104.05 138.99 39.79 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 125.216 1.406 . . . . 0.0 111.293 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -103.64 155.91 18.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.099 1.76 . . . . 0.0 114.02 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.5 p -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.899 1.279 . . . . 0.0 113.661 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -78.9 9.8 3.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.728 1.211 . . . . 0.0 114.115 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.45 8.06 87.52 Favored Glycine 0 C--O 1.221 -0.661 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 8.5 m -85.9 144.09 27.86 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.831 1.316 . . . . 0.0 111.753 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 99.7 m -108.92 133.68 52.6 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.625 1.17 . . . . 0.0 110.489 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -134.4 157.39 46.54 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.52 1.528 . . . . 0.0 113.032 -167.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.46 141.31 32.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.559 1.543 . . . . 0.0 112.456 -168.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -150.58 163.69 37.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.529 1.132 . . . . 0.0 112.669 168.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.53 173.85 46.46 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.179 0.445 . . . . 0.0 114.165 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -87.92 117.56 26.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 121.936 -0.744 . . . . 0.0 110.484 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 46.2 tp -110.72 126.93 55.07 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.982 1.713 . . . . 0.0 110.564 -172.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.96 88.24 2.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 122.663 1.221 . . . . 0.0 109.632 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.451 -0.382 0 C-N-CA 127.243 2.217 . . . . 0.0 111.841 177.087 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 12.9 Cg_exo . . . . . 0 N--CA 1.463 -0.266 0 CA-C-O 118.481 -0.716 . . . . 0.0 112.7 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.01 121.45 12.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.88 0.763 . . . . 0.0 111.351 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.32 145.0 45.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.566 2.347 . . . . 0.0 110.84 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.75 136.81 53.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.76 1.624 . . . . 0.0 110.362 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.78 110.28 16.96 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.29 -24.51 23.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -165.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -113.02 -7.8 13.67 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.06 32.98 9.22 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 120.656 -1.278 . . . . 0.0 115.309 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -131.57 19.67 4.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.52 1.66 . . . . 0.0 113.835 174.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.36 154.5 31.02 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 126.59 2.043 . . . . 0.0 114.626 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -75.16 120.36 24.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 124.773 1.229 . . . . 0.0 109.309 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -120.93 143.81 48.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -114.85 158.17 22.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.446 -0.651 0 C-N-CA 126.254 1.822 . . . . 0.0 110.368 170.674 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.52 127.59 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 124.995 1.318 . . . . 0.0 109.897 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -55.76 152.4 9.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.424 -0.798 . . . . 0.0 112.338 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.95 -9.8 4.8 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 172.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.8 -28.93 69.81 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.344 1.458 . . . . 0.0 113.306 166.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -129.8 -171.57 2.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.675 2.79 . . . . 0.0 112.572 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 174.67 38.42 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 116.344 1.297 . . . . 0.0 116.344 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.74 144.56 30.28 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.406 1.882 . . . . 0.0 111.31 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.94 132.33 39.0 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.199 0.6 . . . . 0.0 110.071 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.96 164.44 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 124.188 0.995 . . . . 0.0 113.034 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -152.16 125.51 8.76 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.378 1.471 . . . . 0.0 110.105 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -77.66 128.88 34.81 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 118.438 0.563 . . . . 0.0 110.004 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -105.44 -6.45 19.48 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.41 -0.85 6.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.62 38.75 57.12 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -108.75 -3.5 17.73 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.7 7.08 88.78 Favored Glycine 0 C--N 1.339 0.748 0 C-N-CA 125.201 1.382 . . . . 0.0 115.772 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 pt -133.04 155.34 41.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 119.318 1.559 . . . . 0.0 112.683 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.8 mm -99.91 102.36 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 126.112 1.765 . . . . 0.0 107.776 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -120.29 -3.99 9.97 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -162.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -153.63 160.84 42.52 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.234 1.414 . . . . 0.0 111.83 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.52 -16.87 63.72 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 116.213 1.245 . . . . 0.0 116.213 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -13.1 60.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.446 1.123 . . . . 0.0 113.866 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -92.38 -7.61 47.24 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.409 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.19 166.37 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.705 2.002 . . . . 0.0 110.342 160.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 96.6 m-85 -101.09 107.02 18.34 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.99 164.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.48 -167.36 35.04 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.443 1.02 . . . . 0.0 113.425 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -70.85 3.16 3.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 116.304 1.964 . . . . 0.0 116.304 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -124.0 14.18 9.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.503 1.521 . . . . 0.0 111.87 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.3 m -89.41 148.2 23.62 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.264 1.826 . . . . 0.0 110.569 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.53 148.92 23.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.08 175.7 7.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.688 2.395 . . . . 0.0 110.949 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -30.46 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -79.77 1.29 27.28 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.983 1.313 . . . . 0.0 113.486 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 0.53 87.99 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.571 1.558 . . . . 0.0 113.967 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.2 p -78.51 161.55 26.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 119.014 1.407 . . . . 0.0 110.916 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -87.43 141.89 28.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.61 -1.306 . . . . 0.0 112.99 -174.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 137.96 47.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.677 1.191 . . . . 0.0 111.364 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -70.52 -25.66 63.23 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.472 ' CD2' HE22 ' A' ' 149' ' ' GLN . 9.5 p80 -159.63 171.16 20.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.111 2.165 . . . . 0.0 111.752 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.95 -26.06 71.11 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.63 -38.7 54.25 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 119.164 1.482 . . . . 0.0 112.496 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.26 73.9 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 119.155 0.889 . . . . 0.0 111.82 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.019 0.928 . . . . 0.0 113.18 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -75.24 -32.39 61.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.885 0.874 . . . . 0.0 112.979 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -18.69 59.78 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.776 1.23 . . . . 0.0 114.256 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.7 -22.96 49.18 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 113.754 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.5 mt -103.51 2.53 33.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -166.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -75.1 125.17 28.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.377 -0.827 . . . . 0.0 109.939 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -91.73 -30.36 16.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -109.22 -3.95 16.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.53 62.0 4.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.745 1.164 . . . . 0.0 112.011 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -122.81 3.28 9.48 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.34 1.056 . . . . 0.0 113.692 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.5 t30 67.92 20.07 9.32 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.716 1.607 . . . . 0.0 115.161 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 pt -135.55 155.54 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 C-N-CA 125.014 1.326 . . . . 0.0 112.583 169.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mm -105.07 119.1 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.494 1.517 . . . . 0.0 109.113 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -152.69 169.21 23.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.785 1.234 . . . . 0.0 111.561 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 -25.2 65.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.16 -14.12 61.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -84.22 134.03 34.56 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 119.842 1.201 . . . . 0.0 112.498 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.82 65.35 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -171.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.41 -19.08 58.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.055 1.742 . . . . 0.0 114.691 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -61.07 -33.02 72.66 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.813 1.188 . . . . 0.0 113.025 -169.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.84 -28.77 66.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -86.34 -11.47 52.01 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 93.0 mt -76.35 137.79 40.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.816 -1.178 . . . . 0.0 112.538 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -136.95 170.43 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.822 1.649 . . . . 0.0 110.683 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.8 t -123.05 134.37 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.763 1.225 . . . . 0.0 109.171 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -102.49 124.85 48.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.975 1.31 . . . . 0.0 109.764 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -117.7 102.2 8.95 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.572 1.549 . . . . 0.0 108.262 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.04 111.63 12.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.359 -0.838 . . . . 0.0 109.572 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.5 mt -73.05 -11.01 60.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.69 1.196 . . . . 0.0 113.263 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -113.87 -8.29 13.15 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 126.263 1.825 . . . . 0.0 113.477 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.93 33.29 11.36 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.484 1.913 . . . . 0.0 113.883 -172.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -92.1 -6.99 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.65 22.36 72.6 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 124.124 0.869 . . . . 0.0 114.774 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -121.96 122.11 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 C-N-CA 126.826 2.051 . . . . 0.0 107.788 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -87.76 139.75 30.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.862 0.865 . . . . 0.0 113.04 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -129.71 154.11 47.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.378 1.471 . . . . 0.0 109.641 169.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.46 69.07 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -71.1 -8.47 53.66 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.18 -8.4 36.38 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.362 1.465 . . . . 0.0 112.798 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.4 mt -89.54 151.29 22.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.27 1.028 . . . . 0.0 110.944 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -133.14 146.41 51.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.292 1.837 . . . . 0.0 110.533 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.5 p -69.18 155.14 40.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.222 1.009 . . . . 0.0 111.153 165.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.5 mt -66.91 -28.66 68.49 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 120.809 -1.182 . . . . 0.0 110.943 165.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.18 -46.86 87.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.794 1.238 . . . . 0.0 112.566 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.6 -19.15 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.08 -13.71 43.5 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.631 1.172 . . . . 0.0 112.462 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.66 42.27 87.93 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 124.755 1.169 . . . . 0.0 113.223 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.69 130.84 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.153 0.981 . . . . 0.0 109.566 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.03 -45.41 5.95 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.126 1.77 . . . . 0.0 112.175 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.0 p -160.05 166.48 29.85 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.843 1.257 . . . . 0.0 111.857 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 mp -127.65 144.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -84.32 143.3 29.59 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.036 0.935 . . . . 0.0 113.323 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 76.3 mt -100.65 -3.46 30.31 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.392 1.477 . . . . 0.0 112.627 163.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.93 122.83 26.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.62 1.168 . . . . 0.0 110.648 164.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -137.27 164.25 29.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.712 1.605 . . . . 0.0 113.332 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -128.16 139.54 52.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.186 2.195 . . . . 0.0 110.114 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.12 125.52 28.52 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 118.774 0.716 . . . . 0.0 109.242 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.52 -29.98 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 49.12 39.68 15.78 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 126.253 1.821 . . . . 0.0 114.412 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -75.18 131.18 40.26 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.137 1.375 . . . . 0.0 111.345 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -84.41 114.7 22.09 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.583 1.083 . . . . 0.0 109.48 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.31 17.41 12.87 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.766 1.226 . . . . 0.0 113.778 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.41 170.05 41.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 124.674 1.13 . . . . 0.0 113.315 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 52.5 26.7 4.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.633 1.973 . . . . 0.0 114.83 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 9.86 82.64 Favored Glycine 0 C--N 1.344 1.002 0 C-N-CA 126.085 1.803 . . . . 0.0 116.434 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -102.26 140.98 35.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.021 1.41 . . . . 0.0 112.363 -172.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.9 m -128.83 117.44 21.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.886 0.875 . . . . 0.0 112.394 -173.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.5 tp -80.06 97.45 6.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.301 1.44 . . . . 0.0 108.961 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.46 -55.82 10.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.238 0.615 . . . . 0.0 112.626 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.472 HE22 ' CD2' ' A' ' 76' ' ' HIS . 35.0 mt-30 -131.32 142.75 50.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.974 1.31 . . . . 0.0 110.226 -178.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -135.53 141.43 45.24 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.939 1.296 . . . . 0.0 112.116 -168.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.65 -149.78 5.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 127.319 2.39 . . . . 0.0 111.627 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 66.6 m -138.05 166.17 24.76 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 123.948 0.899 . . . . 0.0 113.337 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -131.34 162.57 29.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.003 1.721 . . . . 0.0 110.533 165.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.4 m -116.87 140.62 49.24 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.077 1.351 . . . . 0.0 110.722 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -99.49 159.86 14.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.661 1.584 . . . . 0.0 111.819 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 40.8 p -68.45 -14.79 63.25 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -82.05 6.41 16.34 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 166.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.61 -3.86 85.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 125.692 1.615 . . . . 0.0 115.974 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 54.8 p -76.88 153.89 34.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.205 1.502 . . . . 0.0 113.264 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 2.8 m -111.97 139.2 47.66 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.455 1.502 . . . . 0.0 110.15 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.6 45.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 111.69 -164.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -93.92 145.64 24.48 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -167.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -153.99 164.58 38.2 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.743 1.217 . . . . 0.0 112.86 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.9 171.82 44.37 Favored Glycine 0 N--CA 1.439 -1.122 0 O-C-N 121.246 -0.909 . . . . 0.0 114.896 173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -82.96 105.2 13.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.517 1.127 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 51.5 tp -97.43 114.17 25.97 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.888 1.675 . . . . 0.0 110.855 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 40.9 mt -75.34 130.03 38.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.054 1.341 . . . . 0.0 108.768 169.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--O 1.223 -0.312 0 C-N-CA 124.724 1.21 . . . . 0.0 112.053 -169.375 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 CA--C 1.519 -0.27 0 N-CA-C 112.908 0.311 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.33 125.98 28.35 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.47 148.96 42.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.22 2.208 . . . . 0.0 111.856 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -119.45 139.6 51.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.249 2.22 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -82.51 100.33 10.03 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.43 1.492 . . . . 0.0 110.66 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.25 95.4 mt -91.44 -19.66 22.61 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -168.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -100.25 -8.63 23.27 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 121.071 1.759 . . . . 0.0 114.338 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.92 27.76 15.64 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 165.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -123.0 15.35 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.288 1.544 . . . . 0.0 114.446 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.23 154.03 28.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 126.696 2.094 . . . . 0.0 113.104 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.67 135.75 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 121.244 -1.151 . . . . 0.0 110.216 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -129.95 152.9 48.91 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.389 1.476 . . . . 0.0 113.351 -175.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.6 p -137.07 151.1 48.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.6 1.56 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t . . . . . 0 N--CA 1.446 -0.629 0 C-N-CA 125.473 1.509 . . . . 0.0 110.39 -176.257 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 120.299 0.095 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.07 137.5 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.887 0.875 . . . . 0.0 111.82 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 t -62.45 152.6 33.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.354 1.062 . . . . 0.0 113.12 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.34 -22.08 65.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.09 -8.09 59.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -118.15 -173.67 2.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.861 2.465 . . . . 0.0 111.907 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.16 179.63 39.59 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 120.062 -1.649 . . . . 0.0 114.759 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.21 143.88 44.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.751 1.621 . . . . 0.0 112.186 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.7 127.34 32.82 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 123.979 0.912 . . . . 0.0 109.829 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.93 159.35 14.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 124.3 1.04 . . . . 0.0 112.462 -168.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -154.28 131.58 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.229 1.012 . . . . 0.0 111.715 169.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.67 124.98 25.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.591 1.157 . . . . 0.0 112.281 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.8 mt -107.18 -3.38 19.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.568 . . . . 0.0 114.764 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -127.06 17.66 7.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.09 25.36 75.48 Favored Glycine 0 C--N 1.342 0.863 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 167.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -106.17 -4.46 20.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.341 1.456 . . . . 0.0 114.342 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.89 -3.71 74.22 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 125.824 1.678 . . . . 0.0 115.961 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.23 165.97 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.075 1.75 . . . . 0.0 112.163 -175.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -105.85 106.91 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 125.602 1.561 . . . . 0.0 108.944 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -144.83 13.22 1.48 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -169.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -137.83 142.72 40.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.427 1.091 . . . . 0.0 111.226 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.18 -15.78 45.76 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 -173.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.9 -15.54 34.12 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.82 1.31 . . . . 0.0 114.023 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -75.86 -22.94 55.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.671 1.188 . . . . 0.0 112.201 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.95 129.81 35.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.927 1.291 . . . . 0.0 108.242 160.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -66.5 108.07 2.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.34 0.518 . . . . 0.0 112.198 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.84 -166.43 21.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 124.505 1.05 . . . . 0.0 113.392 -171.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -79.77 6.17 11.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.753 1.221 . . . . 0.0 114.188 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.78 -5.77 19.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.271 1.428 . . . . 0.0 113.111 165.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -77.81 144.7 36.87 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.409 1.483 . . . . 0.0 110.033 165.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -98.13 159.87 14.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.53 170.86 9.83 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 128.229 2.612 . . . . 0.0 110.531 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.79 -20.46 65.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -170.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -87.49 1.64 52.92 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 125.759 1.624 . . . . 0.0 113.137 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 -1.34 88.92 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 125.504 1.526 . . . . 0.0 116.285 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -68.21 155.4 39.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.55 1.675 . . . . 0.0 111.848 166.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -76.77 145.54 38.49 Favored 'General case' 0 N--CA 1.441 -0.917 0 O-C-N 121.357 -0.839 . . . . 0.0 111.085 173.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.86 154.55 39.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.612 -0.68 . . . . 0.0 112.824 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.42 -47.4 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.562 1.545 . . . . 0.0 110.996 167.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.3 172.15 17.11 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 127.443 2.297 . . . . 0.0 110.178 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.94 -27.62 62.4 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 121.178 -0.951 . . . . 0.0 115.124 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.28 -37.44 80.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 118.38 1.09 . . . . 0.0 113.293 174.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.98 73.74 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.526 -0.734 . . . . 0.0 112.239 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.83 76.42 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 173.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.16 -40.96 43.61 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.197 1.399 . . . . 0.0 112.54 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -23.44 65.9 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.37 -22.55 61.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.744 1.217 . . . . 0.0 112.976 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.5 mt -91.06 -5.8 54.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.097 1.359 . . . . 0.0 114.468 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -73.02 124.87 26.35 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 119.413 1.006 . . . . 0.0 110.255 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.1 p -81.15 -17.43 49.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.654 1.182 . . . . 0.0 114.041 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -111.51 -24.92 9.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -167.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.27 28.84 73.56 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 118.655 0.662 . . . . 0.0 113.281 -158.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -90.06 7.33 38.29 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.528 1.131 . . . . 0.0 112.61 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 63.88 25.28 13.96 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.933 2.093 . . . . 0.0 114.48 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.76 152.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.258 1.423 . . . . 0.0 113.022 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.6 123.07 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -151.4 175.92 11.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.494 1.918 . . . . 0.0 111.284 -172.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.99 -16.17 16.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -175.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.64 65.97 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 120.355 1.434 . . . . 0.0 114.305 168.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -92.97 139.51 30.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.441 1.496 . . . . 0.0 111.893 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.76 70.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.032 -1.043 . . . . 0.0 113.316 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.48 66.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.66 -25.67 68.25 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.791 1.178 . . . . 0.0 113.191 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -91.57 -19.61 22.56 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 172.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.7 p -97.49 -25.43 15.18 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 121.43 1.923 . . . . 0.0 114.844 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.35 151.47 40.74 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.344 1.457 . . . . 0.0 112.011 171.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -136.54 166.71 22.87 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.718 1.607 . . . . 0.0 110.337 172.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.6 t -123.9 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.055 1.342 . . . . 0.0 108.911 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -120.93 127.95 52.31 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.709 1.203 . . . . 0.0 112.045 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -116.39 108.86 16.58 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.166 1.386 . . . . 0.0 109.957 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -81.71 72.41 8.76 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.958 0.903 . . . . 0.0 111.426 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.19 -24.34 67.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -105.98 8.75 32.6 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 54.78 61.15 3.1 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.403 1.881 . . . . 0.0 114.153 164.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -133.98 -1.03 3.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.16 67.64 Favored Glycine 0 CA--C 1.527 0.781 0 O-C-N 120.629 -1.295 . . . . 0.0 115.998 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.1 mt -97.21 137.83 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 119.47 1.635 . . . . 0.0 109.101 174.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.8 p -94.84 149.95 20.7 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.901 1.28 . . . . 0.0 112.454 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -138.38 158.95 43.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.654 1.982 . . . . 0.0 110.527 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.2 74.76 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.344 -0.847 . . . . 0.0 113.185 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -77.25 -7.39 55.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 174.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -100.49 -17.7 17.02 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 113.666 170.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.9 mt -84.85 152.47 23.58 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.391 1.477 . . . . 0.0 112.057 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -143.61 151.18 39.85 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.393 2.277 . . . . 0.0 111.513 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.4 p -73.74 162.91 28.64 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.035 1.334 . . . . 0.0 111.513 159.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.11 -35.57 74.21 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.1 -39.88 82.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.583 0.753 . . . . 0.0 113.021 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.34 -23.04 61.09 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.9 mt -78.2 -1.39 32.59 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.562 1.545 . . . . 0.0 113.631 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.41 26.05 71.18 Favored Glycine 0 C--O 1.219 -0.785 0 C-N-CA 124.97 1.271 . . . . 0.0 114.85 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.8 mt -82.21 133.2 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 118.658 1.229 . . . . 0.0 109.933 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -97.42 -39.94 8.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.408 1.483 . . . . 0.0 111.932 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.3 p -157.92 154.42 27.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 38.7 mt -100.1 135.75 41.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.238 1.415 . . . . 0.0 109.122 165.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.39 143.46 30.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 119.046 0.839 . . . . 0.0 112.525 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.85 3.99 26.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.193 1.397 . . . . 0.0 113.957 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.24 135.2 33.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 111.197 162.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -159.05 161.42 36.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.135 1.374 . . . . 0.0 111.461 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -125.42 146.87 49.42 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.564 1.946 . . . . 0.0 110.758 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -74.22 129.59 38.11 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.541 0.736 . . . . 0.0 109.84 171.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.11 -20.79 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.6 m120 48.22 35.77 5.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -91.97 122.47 34.52 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.411 1.484 . . . . 0.0 112.434 -164.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -84.93 138.33 32.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 111.938 -175.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.58 17.78 9.61 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 125.39 1.476 . . . . 0.0 114.572 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.24 172.05 5.43 Favored Glycine 0 C--N 1.333 0.416 0 O-C-N 120.213 -1.555 . . . . 0.0 113.354 -168.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 50.34 32.64 6.53 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.026 1.73 . . . . 0.0 114.319 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 62.58 11.69 36.61 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 117.223 1.649 . . . . 0.0 117.223 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -84.33 138.72 32.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.589 1.195 . . . . 0.0 110.488 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.7 m -139.96 138.17 35.32 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.119 0.968 . . . . 0.0 110.572 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -93.4 108.3 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.772 1.629 . . . . 0.0 108.553 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.19 18.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -129.27 141.99 50.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.812 2.045 . . . . 0.0 109.949 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -137.01 136.2 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 120.113 1.324 . . . . 0.0 113.451 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.79 -148.47 5.48 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 127.673 2.559 . . . . 0.0 111.166 168.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.0 m -139.0 168.72 19.2 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.812 1.245 . . . . 0.0 113.799 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -130.05 156.18 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.287 1.435 . . . . 0.0 110.341 159.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.1 m -116.91 141.11 48.66 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.489 1.515 . . . . 0.0 110.055 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.51 165.56 11.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.113 1.365 . . . . 0.0 113.496 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.1 p -66.23 -14.43 61.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -93.11 1.02 57.39 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.59 1.556 . . . . 0.0 114.933 170.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.9 -0.86 86.63 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 117.835 -1.536 . . . . 0.0 115.495 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 55.7 p -74.77 159.91 31.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 119.835 1.817 . . . . 0.0 112.244 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 48.9 p -124.31 155.55 38.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.813 1.245 . . . . 0.0 111.965 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.86 164.72 32.8 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.996 0.919 . . . . 0.0 111.54 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -71.68 148.95 45.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.097 0.959 . . . . 0.0 112.982 -173.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.4 159.51 43.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.137 0.975 . . . . 0.0 110.724 157.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.53 174.32 46.07 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 121.698 -0.626 . . . . 0.0 114.236 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.78 112.11 23.95 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.821 0.848 . . . . 0.0 111.923 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 67.8 tp -112.52 136.18 52.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.951 2.1 . . . . 0.0 112.024 -169.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.75 126.73 32.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.572 0.749 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.221 -0.419 0 C-N-CA 127.889 2.476 . . . . 0.0 113.153 -169.396 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 9.4 Cg_exo . . . . . 0 N--CA 1.465 -0.153 0 N-CA-C 113.272 0.451 . . . . 0.0 113.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.98 132.64 47.67 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.97 150.12 50.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -115.24 133.08 56.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.953 2.101 . . . . 0.0 110.664 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -80.3 105.25 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.384 1.073 . . . . 0.0 110.318 169.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.75 -35.82 29.24 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -165.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -106.29 -2.18 22.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.954 1.301 . . . . 0.0 114.328 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.49 10.84 82.88 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 118.477 -1.18 . . . . 0.0 115.947 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -85.34 -4.4 59.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 120.367 2.083 . . . . 0.0 113.298 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.2 166.06 13.3 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 126.36 1.933 . . . . 0.0 114.396 173.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.35 124.01 33.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.61 146.97 36.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.354 1.462 . . . . 0.0 113.35 -163.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -127.35 162.59 25.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.272 1.429 . . . . 0.0 112.236 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.451 -0.403 0 C-N-CA 126.457 1.903 . . . . 0.0 110.621 173.674 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 121.346 0.594 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.8 137.35 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.535 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -59.67 146.46 41.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.853 0.861 . . . . 0.0 112.67 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.63 -18.23 62.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -78.12 -7.81 57.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.732 1.613 . . . . 0.0 113.568 173.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -113.95 159.18 20.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.053 1.741 . . . . 0.0 113.002 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.63 134.0 11.57 Favored Glycine 0 N--CA 1.446 -0.674 0 O-C-N 121.51 -0.743 . . . . 0.0 113.3 -172.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.8 mt -82.16 129.62 34.87 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 117.689 0.744 . . . . 0.0 108.997 167.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -77.53 126.1 30.36 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.331 0.652 . . . . 0.0 109.854 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.47 166.51 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 124.791 1.236 . . . . 0.0 112.403 -168.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -147.79 138.66 23.32 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.794 1.638 . . . . 0.0 110.89 169.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.59 119.22 24.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.444 0.565 . . . . 0.0 110.868 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.3 mt -94.41 -13.35 26.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.125 1.37 . . . . 0.0 114.548 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -128.42 10.8 6.26 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.4 9.25 85.95 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 116.399 1.319 . . . . 0.0 116.399 167.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -81.96 -2.22 50.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 119.423 1.611 . . . . 0.0 114.447 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.37 6.45 89.25 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.414 1.483 . . . . 0.0 116.084 175.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.0 pt -138.26 166.41 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 C-N-CA 125.848 1.659 . . . . 0.0 112.619 -174.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.8 mm -102.53 114.91 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 125.802 1.641 . . . . 0.0 109.842 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.11 3.89 1.06 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -138.48 138.1 37.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.704 2.001 . . . . 0.0 109.326 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.87 -18.84 19.42 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.36 -14.29 62.14 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -88.37 -17.15 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.857 1.663 . . . . 0.0 113.506 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.17 162.88 23.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.035 1.734 . . . . 0.0 109.694 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 40.0 m-85 -95.17 106.63 18.67 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.234 -1.541 . . . . 0.0 110.761 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.02 -155.23 13.71 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 125.511 1.529 . . . . 0.0 113.085 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -69.4 -10.83 59.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -167.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -75.16 -21.78 58.55 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 120.459 -1.401 . . . . 0.0 112.948 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -74.42 136.43 42.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.316 0.962 . . . . 0.0 112.29 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -98.79 137.03 37.97 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.553 1.541 . . . . 0.0 110.913 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.0 mt -90.98 158.33 16.77 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 127.033 2.133 . . . . 0.0 110.75 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.01 -10.99 55.62 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -88.48 1.92 53.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.859 1.664 . . . . 0.0 113.343 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.08 -8.83 78.94 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.132 1.349 . . . . 0.0 115.575 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -74.65 159.07 32.57 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 118.906 1.353 . . . . 0.0 112.027 172.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.07 154.22 20.36 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 120.731 -1.231 . . . . 0.0 110.728 163.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.71 138.94 55.33 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.023 0.529 . . . . 0.0 111.979 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -80.09 -29.59 39.08 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.978 0.911 . . . . 0.0 112.94 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.31 168.55 25.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.432 1.893 . . . . 0.0 112.038 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.92 -27.4 68.59 Favored Glycine 0 C--N 1.338 0.642 0 C-N-CA 123.843 0.735 . . . . 0.0 114.22 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -69.65 -42.5 74.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.605 1.203 . . . . 0.0 112.514 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.26 80.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.484 1.038 . . . . 0.0 112.587 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.28 96.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.666 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.04 -35.43 56.87 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.182 -0.949 . . . . 0.0 113.216 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.26 -16.03 61.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -62.85 -24.5 67.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 121.134 -0.979 . . . . 0.0 113.455 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.5 mt -93.32 -9.42 38.93 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -166.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.28 119.53 11.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 118.509 0.595 . . . . 0.0 109.529 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -93.62 -27.65 16.47 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -109.62 -12.13 14.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.82 46.79 9.2 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-N 119.276 0.944 . . . . 0.0 114.141 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -104.55 2.88 31.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.612 1.565 . . . . 0.0 112.788 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t30 62.02 25.84 15.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.886 2.074 . . . . 0.0 114.307 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.3 pt -132.24 153.44 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.9 mm -100.27 117.54 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 166.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -144.67 172.73 12.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.556 1.542 . . . . 0.0 111.208 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.57 -15.35 26.86 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.51 -12.99 59.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -85.3 133.52 34.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 120.272 -1.518 . . . . 0.0 111.424 164.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.26 68.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.732 -1.23 . . . . 0.0 113.913 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.95 -23.23 67.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.18 -29.48 68.72 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 120.362 1.437 . . . . 0.0 113.529 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.36 -17.52 48.78 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.502 1.121 . . . . 0.0 113.915 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -95.48 -27.33 15.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.601 1.56 . . . . 0.0 113.441 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.86 142.38 58.28 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.513 1.125 . . . . 0.0 111.529 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -138.96 164.55 29.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.597 1.959 . . . . 0.0 109.985 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.92 129.9 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.84 1.256 . . . . 0.0 108.625 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -118.69 134.09 55.38 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.427 1.091 . . . . 0.0 112.847 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -121.86 114.82 21.58 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.327 1.851 . . . . 0.0 110.52 174.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -78.51 75.5 5.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.767 -1.208 . . . . 0.0 111.807 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.1 -44.49 67.66 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.127 1.371 . . . . 0.0 114.04 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -89.4 -7.95 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.981 1.312 . . . . 0.0 114.43 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 55.57 56.72 5.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.577 1.551 . . . . 0.0 112.85 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 p30 -94.79 -9.17 35.35 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 120.009 -1.682 . . . . 0.0 113.301 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.68 2.19 90.61 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.652 1.12 . . . . 0.0 114.26 -173.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.02 145.01 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 126.695 1.998 . . . . 0.0 109.996 -169.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 134.84 37.22 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.296 1.038 . . . . 0.0 111.272 174.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -130.35 145.14 51.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.703 1.601 . . . . 0.0 108.341 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.71 -27.52 67.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -166.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -67.47 -17.65 64.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -89.84 -7.95 53.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.867 1.667 . . . . 0.0 114.327 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -87.13 152.66 22.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.028 0.931 . . . . 0.0 110.389 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -136.01 148.03 48.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.257 2.223 . . . . 0.0 110.944 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.7 p -68.52 161.12 28.53 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.699 1.2 . . . . 0.0 111.054 164.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.36 -38.57 84.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.764 -0.585 . . . . 0.0 110.495 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -63.27 -42.44 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.251 1.42 . . . . 0.0 112.859 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.94 -14.37 60.63 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.0 6.58 45.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.496 1.519 . . . . 0.0 112.643 168.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.02 15.8 76.48 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 124.271 0.938 . . . . 0.0 115.264 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.6 mt -78.69 132.61 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 118.687 1.243 . . . . 0.0 109.304 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -99.22 -41.42 7.49 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.561 1.544 . . . . 0.0 111.474 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 99.8 p -158.34 161.12 37.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.533 1.133 . . . . 0.0 112.857 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.5 mt -110.91 139.19 46.44 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 126.344 1.858 . . . . 0.0 109.1 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -89.38 136.98 32.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.528 0.731 . . . . 0.0 111.38 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.08 -8.2 46.51 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.62 137.52 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 111.287 168.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -147.02 168.8 20.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.35 1.06 . . . . 0.0 112.127 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -121.14 132.93 55.14 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.924 2.09 . . . . 0.0 109.766 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -69.23 130.44 42.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 122.729 0.412 . . . . 0.0 110.963 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m -137.54 -34.42 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.35 44.16 12.39 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 114.426 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -73.81 118.36 16.68 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.732 1.213 . . . . 0.0 111.614 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.45 120.42 20.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.414 1.086 . . . . 0.0 112.476 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.4 -1.57 21.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -171.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 83.69 168.04 42.95 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 125.121 1.343 . . . . 0.0 114.5 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 49.02 31.17 3.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 127.226 2.211 . . . . 0.0 114.286 -176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.03 16.12 80.9 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 125.796 1.665 . . . . 0.0 115.929 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -99.0 147.24 25.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.47 1.635 . . . . 0.0 112.119 170.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -142.94 139.95 30.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.202 1.401 . . . . 0.0 109.324 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.0 101.45 12.93 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.12 0.968 . . . . 0.0 108.611 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.08 -54.09 6.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.591 0.756 . . . . 0.0 113.017 -170.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -127.46 138.85 53.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 108.504 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.39 138.18 52.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.875 1.27 . . . . 0.0 111.499 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -151.42 -155.41 6.96 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 125.739 1.638 . . . . 0.0 111.778 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.8 p -134.99 165.86 24.37 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -135.38 156.82 48.3 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.609 1.964 . . . . 0.0 110.345 165.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.7 m -114.67 133.83 55.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.824 0.85 . . . . 0.0 109.838 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.75 154.5 17.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 125.494 1.518 . . . . 0.0 111.624 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -66.08 -22.43 66.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.473 -1.392 . . . . 0.0 113.482 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -77.36 2.04 17.12 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.44 85.05 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 116.738 1.455 . . . . 0.0 116.738 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 59.6 m -70.42 143.38 51.85 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.725 1.262 . . . . 0.0 111.498 172.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 7.4 m -105.46 135.69 46.39 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.911 1.285 . . . . 0.0 108.98 168.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -137.22 162.65 32.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.49 1.516 . . . . 0.0 111.495 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -97.43 144.7 26.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.696 1.198 . . . . 0.0 113.854 -165.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.2 ptm -150.07 167.54 26.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.676 1.191 . . . . 0.0 111.949 172.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.36 -179.1 47.59 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.048 -1.033 . . . . 0.0 114.623 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -92.27 104.77 17.09 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.596 1.158 . . . . 0.0 110.331 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.96 121.33 32.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.904 1.282 . . . . 0.0 110.605 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.01 121.17 23.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.939 0.496 . . . . 0.0 112.132 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.238 0.478 0 C-N-CA 127.995 2.518 . . . . 0.0 112.169 -174.676 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 28.7 Cg_exo . . . . . 0 C--O 1.237 0.458 0 CA-C-O 119.106 -0.456 . . . . 0.0 112.762 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.1 128.21 35.34 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 118.877 0.762 . . . . 0.0 112.137 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.73 151.38 48.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.752 2.021 . . . . 0.0 112.025 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -121.77 140.38 52.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.726 2.01 . . . . 0.0 110.69 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -82.07 103.25 11.56 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 111.341 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt -91.94 -18.81 23.18 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -109.96 -2.05 17.35 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 120.932 1.697 . . . . 0.0 114.606 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.46 24.01 25.01 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 164.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -128.05 19.64 6.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.746 1.619 . . . . 0.0 114.033 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.81 156.41 32.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 125.551 1.548 . . . . 0.0 114.87 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.3 134.74 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 121.32 -1.106 . . . . 0.0 111.171 -172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -125.23 153.38 43.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.68 1.592 . . . . 0.0 114.283 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -131.88 163.69 27.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.962 1.305 . . . . 0.0 113.21 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m . . . . . 0 N--CA 1.449 -0.488 0 C-N-CA 128.072 2.549 . . . . 0.0 110.887 -177.562 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 . . . . . 0 CA--C 1.518 -0.27 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.77 135.95 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 124.934 1.294 . . . . 0.0 110.864 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -59.92 145.85 44.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.142 -0.973 . . . . 0.0 112.78 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.75 -17.04 62.63 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -77.19 -11.77 59.86 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 119.972 1.26 . . . . 0.0 113.693 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -118.46 -172.69 2.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.956 3.302 . . . . 0.0 111.889 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.77 165.45 37.53 Favored Glycine 0 N--CA 1.448 -0.522 0 O-C-N 120.576 -1.327 . . . . 0.0 116.066 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.9 mt -100.66 132.34 46.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.106 2.162 . . . . 0.0 112.258 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -76.32 130.43 38.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 119.737 1.153 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.61 167.68 4.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 125.149 1.379 . . . . 0.0 112.524 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -147.62 130.62 16.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 109.616 166.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -74.03 124.2 25.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.897 0.879 . . . . 0.0 110.674 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.09 -0.8 43.77 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.441 1.496 . . . . 0.0 114.524 -175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -138.78 3.31 2.25 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.37 12.85 83.88 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 120.625 -1.297 . . . . 0.0 115.909 167.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -75.81 -9.47 58.62 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 119.363 1.581 . . . . 0.0 114.026 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.07 5.68 82.9 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 126.313 1.911 . . . . 0.0 114.801 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -124.05 149.83 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 127.495 2.318 . . . . 0.0 109.97 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.61 106.19 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.355 . . . . 0.0 108.896 168.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -137.12 0.92 2.4 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -165.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -133.91 145.98 50.11 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.828 1.651 . . . . 0.0 109.646 169.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.99 -27.67 65.05 Favored Glycine 0 N--CA 1.447 -0.614 0 O-C-N 120.927 -1.108 . . . . 0.0 114.245 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -16.12 44.37 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.39 -15.25 43.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.908 1.283 . . . . 0.0 113.176 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.31 143.26 28.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.646 1.578 . . . . 0.0 110.276 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 89.6 m-85 -80.67 105.45 11.92 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.009 -1.057 . . . . 0.0 110.164 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.66 178.2 31.55 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.808 1.194 . . . . 0.0 114.415 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.44 150.0 44.69 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 121.378 -1.072 . . . . 0.0 111.985 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.58 16.75 6.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.557 2.343 . . . . 0.0 115.146 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -67.76 125.39 26.08 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.736 -1.227 . . . . 0.0 109.386 168.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -84.86 133.73 34.3 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 124.212 1.005 . . . . 0.0 111.72 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -105.95 166.02 10.78 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 127.087 2.155 . . . . 0.0 111.708 -165.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.32 -18.81 64.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -93.9 7.38 45.22 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.953 1.301 . . . . 0.0 113.633 172.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.46 -7.44 78.94 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 126.596 2.046 . . . . 0.0 115.763 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.6 m -72.29 163.89 27.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 118.678 1.239 . . . . 0.0 112.832 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -113.83 136.72 52.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.82 131.7 42.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 113.283 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -64.23 -30.3 71.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 174.97 12.44 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 127.493 2.317 . . . . 0.0 110.777 177.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.21 -32.04 75.25 Favored Glycine 0 C--N 1.341 0.82 0 O-C-N 121.209 -0.932 . . . . 0.0 115.377 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.498 1.149 . . . . 0.0 112.136 173.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 -31.25 71.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.887 0.767 . . . . 0.0 112.666 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.22 89.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.729 0.695 . . . . 0.0 111.85 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 tp -74.01 -33.73 63.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.038 0.935 . . . . 0.0 112.924 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.74 -16.7 63.34 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.393 1.477 . . . . 0.0 114.972 -173.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.75 -13.93 60.31 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.73 1.212 . . . . 0.0 114.183 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.16 -2.89 54.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -71.33 117.67 13.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 118.786 0.721 . . . . 0.0 109.674 170.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -90.83 -27.62 18.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -168.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -110.97 -16.47 13.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.041 1.736 . . . . 0.0 113.813 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.07 74.77 0.95 Allowed Glycine 0 C--N 1.334 0.429 0 C-N-CA 123.908 0.766 . . . . 0.0 112.714 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -135.49 8.41 3.36 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.025 1.33 . . . . 0.0 114.366 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 70.54 6.73 5.94 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 127.394 2.278 . . . . 0.0 115.821 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.9 pt -129.82 147.49 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 122.838 1.304 . . . . 0.0 112.978 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -97.3 114.85 35.46 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 167.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -144.86 169.1 18.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 111.642 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.56 -20.45 55.77 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -171.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.62 61.35 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 172.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -75.41 131.72 40.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 120.078 1.308 . . . . 0.0 111.963 172.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.6 66.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.96 -18.91 49.21 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.36 -40.97 88.16 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.384 -1.448 . . . . 0.0 113.809 -169.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -68.09 -15.22 63.5 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -92.82 -9.52 40.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.002 1.721 . . . . 0.0 114.379 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.99 147.32 51.79 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.729 1.15 . . . . 0.0 111.073 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -141.99 165.37 27.65 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.428 1.891 . . . . 0.0 110.375 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 51.6 t -121.94 121.77 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.934 0.893 . . . . 0.0 109.697 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -91.4 122.0 33.62 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.675 1.19 . . . . 0.0 111.14 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -118.38 99.76 7.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.095 1.358 . . . . 0.0 109.755 171.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.57 105.46 10.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.589 -0.694 . . . . 0.0 111.342 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.92 -29.76 67.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.568 0.747 . . . . 0.0 112.995 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -79.55 -8.32 59.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.286 1.034 . . . . 0.0 112.246 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 57.08 27.01 12.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.131 2.172 . . . . 0.0 113.267 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -104.58 -15.87 15.19 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.03 17.5 77.17 Favored Glycine 0 C--O 1.219 -0.783 0 CA-C-N 118.889 0.768 . . . . 0.0 113.681 -174.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.5 mm -97.38 104.23 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 170.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.2 t -70.13 133.92 47.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -171.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -123.61 152.43 41.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.962 1.305 . . . . 0.0 110.391 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -21.06 66.44 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -71.79 -24.18 61.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.478 1.111 . . . . 0.0 113.879 172.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -81.58 -5.64 58.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -171.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.09 123.9 36.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.521 1.128 . . . . 0.0 110.876 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -96.19 150.47 20.49 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.647 1.979 . . . . 0.0 110.799 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.6 p -72.62 159.08 34.45 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 123.173 0.589 . . . . 0.0 111.648 161.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.286 0.634 . . . . 0.0 110.683 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.75 -43.88 97.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.378 1.071 . . . . 0.0 112.472 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.16 -13.48 60.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.78 0.09 56.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.062 1.345 . . . . 0.0 113.095 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.34 24.49 76.66 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 125.143 1.354 . . . . 0.0 114.385 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.3 mt -83.3 124.23 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 124.39 1.076 . . . . 0.0 108.702 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -100.86 -41.98 6.63 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.25 1.02 . . . . 0.0 112.345 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.9 p -156.28 161.94 40.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.242 1.017 . . . . 0.0 112.517 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.2 mp -126.78 132.97 50.93 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.96 144.95 45.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 119.356 0.98 . . . . 0.0 112.558 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.4 mt -90.09 9.45 28.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.567 1.147 . . . . 0.0 113.625 163.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -99.88 132.62 45.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.963 2.505 . . . . 0.0 112.219 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -153.24 163.25 40.22 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.962 1.305 . . . . 0.0 112.973 -171.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -135.32 142.43 45.81 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.764 1.626 . . . . 0.0 111.578 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.1 133.31 46.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.747 1.619 . . . . 0.0 111.794 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.13 -21.37 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 125.414 1.486 . . . . 0.0 114.08 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 46.67 40.41 8.55 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 126.068 1.747 . . . . 0.0 114.646 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.81 122.09 32.56 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.537 1.535 . . . . 0.0 112.021 -162.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -72.1 128.65 36.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 122.557 0.343 . . . . 0.0 111.365 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.08 1.43 24.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 88.5 169.59 45.04 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 126.016 1.769 . . . . 0.0 113.953 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 48.19 34.19 4.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.574 1.95 . . . . 0.0 113.857 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.32 6.88 88.8 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 125.516 1.532 . . . . 0.0 116.407 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -96.94 145.27 26.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.324 1.562 . . . . 0.0 112.407 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.1 m -136.87 129.52 30.37 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.861 0.864 . . . . 0.0 112.874 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.6 tt -81.59 112.46 18.82 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.08 0.952 . . . . 0.0 108.757 167.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.33 -59.71 2.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.423 -0.798 . . . . 0.0 112.502 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.96 142.6 47.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.01 1.324 . . . . 0.0 112.864 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -122.1 144.33 48.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.57 1.948 . . . . 0.0 112.268 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.6 -146.6 4.64 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 128.552 2.977 . . . . 0.0 111.119 170.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.3 m -145.24 164.81 30.23 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -121.9 152.76 39.28 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.192 1.797 . . . . 0.0 110.957 163.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.3 m -106.95 135.19 48.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.276 1.83 . . . . 0.0 110.499 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -103.25 159.67 15.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.594 1.558 . . . . 0.0 114.542 -173.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 44.1 p -63.96 -24.29 67.67 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.725 1.61 . . . . 0.0 114.074 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -79.86 2.99 21.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.071 1.748 . . . . 0.0 114.924 172.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.56 8.21 86.43 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 125.485 1.517 . . . . 0.0 116.153 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.1 p -98.95 172.75 7.22 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.205 1.503 . . . . 0.0 112.781 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.8 p -114.76 157.83 22.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.814 1.646 . . . . 0.0 111.521 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.27 157.76 43.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.995 1.318 . . . . 0.0 111.304 168.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -78.91 147.67 32.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -171.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -149.89 162.59 40.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.72 1.608 . . . . 0.0 110.474 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.84 173.58 46.14 Favored Glycine 0 N--CA 1.444 -0.825 0 O-C-N 121.362 -0.836 . . . . 0.0 114.798 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -82.09 119.83 24.53 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 117.964 0.882 . . . . 0.0 110.264 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 20.1 tp -117.29 117.69 30.23 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.777 1.631 . . . . 0.0 110.397 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 37.3 mt -78.64 116.1 18.78 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.736 1.614 . . . . 0.0 108.745 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 124.533 1.133 . . . . 0.0 110.829 -175.124 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.466 -0.141 0 N-CA-C 113.016 0.352 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.15 126.78 28.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.93 153.77 39.26 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.1 2.56 . . . . 0.0 111.768 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -133.71 140.99 47.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.322 1.449 . . . . 0.0 111.511 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.96 127.14 36.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.899 1.679 . . . . 0.0 110.891 167.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.94 -29.62 18.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -104.06 -5.09 22.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.31 12.8 66.91 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.91 1.232 . . . . 0.0 115.038 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -115.65 2.55 13.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.778 2.031 . . . . 0.0 114.268 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.2 160.54 27.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 126.466 1.984 . . . . 0.0 115.453 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -84.02 132.25 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 124.925 1.29 . . . . 0.0 110.765 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.45 169.56 11.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 126.966 2.106 . . . . 0.0 112.273 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -130.75 165.82 22.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.449 -0.482 0 C-N-CA 125.484 1.514 . . . . 0.0 111.91 175.113 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.0 m -91.73 155.39 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.988 2.915 . . . . 0.0 113.326 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.42 156.68 1.69 Allowed 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 120.513 -1.367 . . . . 0.0 113.291 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -19.94 58.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -91.87 -7.12 50.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.851 1.66 . . . . 0.0 113.71 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -116.97 176.69 5.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 127.18 2.192 . . . . 0.0 110.658 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.31 170.98 35.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 120.481 -1.387 . . . . 0.0 115.658 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.05 150.05 26.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 112.28 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -77.9 129.12 34.97 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 110.493 168.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.4 172.07 9.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.34 1.056 . . . . 0.0 112.256 -174.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -150.02 145.7 26.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.455 1.502 . . . . 0.0 110.964 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -96.04 120.23 35.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.745 0.702 . . . . 0.0 109.862 168.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.4 -4.24 42.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.361 1.464 . . . . 0.0 114.556 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -138.84 11.57 2.67 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.44 21.0 72.15 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 115.965 1.146 . . . . 0.0 115.965 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -88.7 -2.48 58.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.837 1.318 . . . . 0.0 114.555 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.7 0.33 89.2 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 126.603 2.049 . . . . 0.0 115.936 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.0 pt -137.02 167.23 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 125.726 1.611 . . . . 0.0 112.887 -173.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 36.2 mm -93.81 123.48 45.93 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 C-N-CA 126.057 1.743 . . . . 0.0 108.864 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.32 -20.07 0.15 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -103.24 147.4 27.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.85 1.204 . . . . 0.0 112.371 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.29 -20.67 51.46 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 124.949 1.261 . . . . 0.0 115.965 -174.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.48 1.83 54.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.012 1.406 . . . . 0.0 114.364 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.15 -13.53 38.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -170.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.4 mt -98.82 156.59 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.952 1.701 . . . . 0.0 110.44 162.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 72.2 m-85 -101.77 106.68 17.71 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.077 0.951 . . . . 0.0 110.605 176.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 -175.14 28.28 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.302 0.501 . . . . 0.0 114.332 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.74 158.3 13.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.311 -0.523 . . . . 0.0 111.423 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 61.53 4.11 0.94 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.568 1.947 . . . . 0.0 115.712 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -67.11 128.78 37.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.304 -1.497 . . . . 0.0 110.595 170.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -77.64 138.21 38.98 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.222 0.609 . . . . 0.0 111.69 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.2 mt -107.14 167.61 9.79 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 127.326 2.25 . . . . 0.0 111.431 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.66 -31.73 71.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -167.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -79.14 -1.28 35.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 114.038 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 7.43 84.13 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 124.279 0.942 . . . . 0.0 115.189 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -79.53 169.54 17.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 118.823 1.311 . . . . 0.0 112.215 166.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -125.0 140.1 53.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.809 1.244 . . . . 0.0 110.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.94 138.3 47.98 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.37 1.068 . . . . 0.0 113.453 -174.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -78.91 -25.49 43.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.14 1.376 . . . . 0.0 114.315 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -159.88 170.79 20.67 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.882 2.073 . . . . 0.0 110.986 173.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.86 -30.16 74.41 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.6 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -66.7 -40.89 88.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.854 1.327 . . . . 0.0 112.06 173.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.73 -26.26 66.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.01 0.823 . . . . 0.0 113.16 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.43 67.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 tp -80.41 -34.93 35.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.236 1.014 . . . . 0.0 113.262 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -14.85 61.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -62.21 -25.41 67.78 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.088 0.955 . . . . 0.0 113.27 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt -88.24 -3.73 58.82 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -72.87 125.55 27.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.209 0.913 . . . . 0.0 110.858 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.0 m -90.33 -34.81 15.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -110.43 -1.87 16.86 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.338 1.455 . . . . 0.0 114.746 -171.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.02 33.56 45.08 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 120.028 1.286 . . . . 0.0 115.115 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -95.08 -5.38 44.41 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.905 1.353 . . . . 0.0 113.303 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.6 t30 63.88 31.71 13.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.127 2.171 . . . . 0.0 114.366 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.93 153.8 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 125.476 1.51 . . . . 0.0 111.308 164.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.07 115.15 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 124.846 1.258 . . . . 0.0 108.804 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.24 170.55 18.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 111.674 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.65 60.39 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -165.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.19 60.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.571 -1.331 . . . . 0.0 113.94 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.21 135.36 44.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.264 1.026 . . . . 0.0 111.566 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.42 67.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -165.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.73 -15.65 47.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.12 -40.27 73.48 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -161.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.62 -10.12 59.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 119.637 1.108 . . . . 0.0 113.978 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.8 m -78.97 -23.82 44.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.718 1.607 . . . . 0.0 112.718 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 154.62 40.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.94 1.696 . . . . 0.0 112.264 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.1 mmt-85 -142.23 168.49 19.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.887 2.075 . . . . 0.0 111.022 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.46 143.09 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.889 1.676 . . . . 0.0 108.916 166.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -119.99 129.85 54.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.342 1.057 . . . . 0.0 110.85 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.71 129.04 50.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.283 1.433 . . . . 0.0 107.923 166.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.61 87.17 6.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.159 0.891 . . . . 0.0 110.336 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.44 -17.54 63.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -162.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -111.74 -4.18 14.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.898 1.679 . . . . 0.0 114.311 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 51.27 49.74 20.43 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 114.125 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -85.26 -19.0 32.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.169 -0.957 . . . . 0.0 112.453 173.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.58 16.55 58.39 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.869 1.224 . . . . 0.0 114.118 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.3 mt -137.8 141.92 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 126.902 2.081 . . . . 0.0 109.011 -170.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.9 p -92.54 148.52 22.02 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.875 -1.141 . . . . 0.0 112.868 171.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -135.13 159.51 41.31 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.944 1.298 . . . . 0.0 110.614 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.83 -31.79 66.98 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -167.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -83.85 -20.17 33.6 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.516 1.053 . . . . 0.0 113.173 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -14.54 58.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.275 1.43 . . . . 0.0 113.693 -169.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.3 mt -83.85 132.7 34.78 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.051 -1.031 . . . . 0.0 110.932 170.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -114.98 150.18 36.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.425 1.89 . . . . 0.0 112.032 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 46.4 p -78.22 161.67 27.13 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.862 1.265 . . . . 0.0 112.294 168.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.96 -42.84 84.53 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.789 -0.569 . . . . 0.0 111.139 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.35 -36.79 77.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.27 -21.81 62.93 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.0 mt -90.59 1.65 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.919 1.688 . . . . 0.0 113.317 170.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.83 24.83 73.32 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 124.739 1.162 . . . . 0.0 115.306 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.0 mt -85.65 128.17 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 118.853 1.327 . . . . 0.0 108.883 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -102.04 -42.09 6.21 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.667 1.587 . . . . 0.0 112.559 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.6 p -158.6 156.45 30.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.306 0.957 . . . . 0.0 112.708 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 mt -107.65 135.87 48.36 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.669 1.188 . . . . 0.0 109.562 174.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -86.23 130.92 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.567 0.747 . . . . 0.0 110.918 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -87.14 -6.24 58.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -88.92 151.54 22.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.748 1.219 . . . . 0.0 112.506 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -155.59 168.74 26.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 125.179 1.391 . . . . 0.0 113.175 -171.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -133.11 141.28 48.08 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.84 1.656 . . . . 0.0 110.671 166.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.89 138.18 52.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.287 1.035 . . . . 0.0 111.339 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.46 -23.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 126.839 2.056 . . . . 0.0 114.074 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.5 m120 47.71 36.1 5.28 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 127.457 2.303 . . . . 0.0 114.925 174.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -91.72 134.1 35.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.119 1.767 . . . . 0.0 111.801 -163.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.06 129.17 39.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.653 -0.654 . . . . 0.0 110.609 171.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.74 14.21 31.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 173.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.92 170.31 42.84 Favored Glycine 0 C--N 1.339 0.747 0 C-N-CA 124.687 1.137 . . . . 0.0 114.035 -170.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 52.48 24.74 3.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.871 1.668 . . . . 0.0 115.347 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.98 76.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 125.515 1.531 . . . . 0.0 116.031 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -99.05 144.39 28.25 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 119.121 1.46 . . . . 0.0 112.532 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.1 m -127.97 117.55 21.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.328 1.051 . . . . 0.0 112.227 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.23 103.85 6.46 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.549 0.74 . . . . 0.0 109.092 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.26 -50.86 35.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 122.141 -0.349 . . . . 0.0 111.352 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -142.51 144.7 33.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.913 1.285 . . . . 0.0 111.538 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -127.24 147.02 50.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.582 1.553 . . . . 0.0 111.694 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.81 7.82 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 127.512 2.482 . . . . 0.0 110.444 172.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 89.6 p -124.48 168.26 13.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -134.54 160.49 37.89 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 124.873 1.269 . . . . 0.0 110.312 161.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.5 m -112.35 139.93 47.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 125.663 1.585 . . . . 0.0 111.449 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -102.0 163.49 12.22 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.218 1.807 . . . . 0.0 113.851 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.9 p -66.83 -12.34 58.71 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.652 1.981 . . . . 0.0 114.867 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -96.79 6.43 48.7 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.963 1.705 . . . . 0.0 114.302 167.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.71 -5.63 77.61 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 125.806 1.669 . . . . 0.0 115.725 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.8 p -80.4 173.8 12.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 120.067 1.933 . . . . 0.0 112.612 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 78.6 p -129.99 164.96 23.15 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.515 1.126 . . . . 0.0 112.403 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.66 170.9 18.07 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.725 1.61 . . . . 0.0 110.816 165.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -75.85 148.23 38.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.2 ptm -141.31 165.1 28.44 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.812 1.645 . . . . 0.0 109.761 162.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.28 171.31 44.31 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 120.913 -1.117 . . . . 0.0 114.358 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.49 111.03 20.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.428 0.633 . . . . 0.0 110.412 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 43.7 tp -104.52 111.09 23.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.893 1.677 . . . . 0.0 110.772 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.9 mt -77.21 122.08 24.55 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.551 1.54 . . . . 0.0 109.401 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.448 -0.573 0 C-N-CA 124.262 1.025 . . . . 0.0 111.354 -167.432 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.214 0 N-CA-C 113.008 0.349 . . . . 0.0 113.008 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -59.79 118.93 6.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.97 0.508 . . . . 0.0 111.641 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.37 147.77 31.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.938 2.095 . . . . 0.0 110.638 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.27 134.34 55.12 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.588 1.955 . . . . 0.0 109.335 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.72 107.32 7.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 109.112 163.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.01 -10.26 50.92 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.896 -0.503 . . . . 0.0 112.233 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.73 -19.23 20.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 29.81 27.77 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.52 1.057 . . . . 0.0 114.42 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -143.42 23.84 1.78 Allowed 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.443 1.497 . . . . 0.0 114.965 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.78 168.07 43.06 Favored Glycine 0 CA--C 1.526 0.72 0 O-C-N 120.643 -1.286 . . . . 0.0 114.502 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -82.19 135.46 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 124.885 1.274 . . . . 0.0 110.76 -171.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.93 163.52 32.67 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.903 1.281 . . . . 0.0 113.921 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 p -131.73 166.46 21.47 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.362 1.465 . . . . 0.0 113.157 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 126.082 1.753 . . . . 0.0 112.77 -178.169 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.2 136.63 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.289 1.436 . . . . 0.0 110.391 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 t -61.49 153.19 28.04 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.195 0.998 . . . . 0.0 113.101 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.77 -23.85 67.53 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -174.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.41 -9.66 59.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.848 1.259 . . . . 0.0 113.566 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -120.33 179.04 4.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 128.252 2.621 . . . . 0.0 111.691 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.69 178.46 33.99 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 120.554 -1.341 . . . . 0.0 115.795 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 mt -115.16 135.7 53.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.854 1.662 . . . . 0.0 110.994 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.2 tp -77.2 126.9 31.69 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.037 0.935 . . . . 0.0 110.483 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.66 162.09 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.294 1.038 . . . . 0.0 112.62 -169.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -148.29 118.94 7.48 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.445 1.498 . . . . 0.0 109.47 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -80.95 111.28 17.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.481 -0.762 . . . . 0.0 110.855 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.81 -6.92 44.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.364 1.466 . . . . 0.0 113.88 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -126.65 11.47 7.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.45 27.91 73.01 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 115.929 1.132 . . . . 0.0 115.929 162.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -96.94 -6.7 34.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.3 2.47 76.98 Favored Glycine 0 C--N 1.34 0.789 0 C-N-CA 126.011 1.767 . . . . 0.0 115.836 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 pt -136.74 165.22 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 125.87 1.668 . . . . 0.0 112.17 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.5 mm -105.42 106.87 21.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 C-N-CA 125.185 1.394 . . . . 0.0 109.787 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -148.7 12.82 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -166.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -128.13 138.13 52.39 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.614 1.166 . . . . 0.0 109.056 160.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.49 -14.15 40.8 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.464 -1.186 . . . . 0.0 116.051 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.46 50.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.515 1.658 . . . . 0.0 114.011 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -73.1 -22.02 60.64 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.515 1.526 . . . . 0.0 113.292 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.61 129.44 34.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.306 1.042 . . . . 0.0 108.878 162.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 69.6 m-85 -67.54 107.8 2.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.498 0.59 . . . . 0.0 110.116 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.67 -169.84 36.44 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 121.901 0.723 . . . . 0.0 113.145 -170.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -68.71 3.13 2.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -113.46 0.08 14.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.836 1.254 . . . . 0.0 113.635 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -80.18 141.69 35.43 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.184 1.394 . . . . 0.0 111.246 169.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -90.31 148.19 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.575 1.15 . . . . 0.0 112.54 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 179.77 5.45 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 127.865 2.466 . . . . 0.0 111.39 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -13.32 62.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -168.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -98.42 0.7 45.81 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.686 -1.259 . . . . 0.0 113.485 170.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.09 84.15 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 126.189 1.852 . . . . 0.0 115.391 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 m -71.81 146.89 47.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 120.193 1.996 . . . . 0.0 111.468 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.23 137.2 39.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 121.398 -0.814 . . . . 0.0 111.982 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.32 144.18 53.6 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.382 1.073 . . . . 0.0 112.972 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -71.81 -27.69 63.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.01 173.27 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.642 1.977 . . . . 0.0 111.232 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.13 73.78 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.699 1.142 . . . . 0.0 114.82 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.88 -33.02 71.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.405 1.103 . . . . 0.0 112.96 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -41.31 73.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.399 0.999 . . . . 0.0 110.814 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.95 82.71 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.015 0.926 . . . . 0.0 113.483 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.2 tp -79.47 -38.88 33.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.76 -21.74 66.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -175.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.16 -21.47 66.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.3 mt -87.85 -0.49 57.03 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -76.92 91.19 3.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.176 1.39 . . . . 0.0 111.375 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -64.38 -26.82 68.63 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -107.06 -16.67 14.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.376 1.47 . . . . 0.0 114.538 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.2 54.94 4.54 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-N 119.754 1.161 . . . . 0.0 113.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -110.22 -0.37 17.83 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.708 1.603 . . . . 0.0 113.215 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.253 2.2 t30 71.44 21.84 4.41 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.947 2.099 . . . . 0.0 114.781 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.81 154.74 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 125.326 1.451 . . . . 0.0 112.31 166.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.81 117.39 49.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 C-N-CA 125.073 1.349 . . . . 0.0 109.542 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -152.77 168.36 25.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.328 1.851 . . . . 0.0 112.665 -169.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.82 -14.47 15.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.99 -20.02 56.58 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -75.24 140.55 43.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.953 1.301 . . . . 0.0 112.796 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.58 -26.82 66.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -165.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.25 -15.38 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.062 1.345 . . . . 0.0 114.402 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.85 -38.03 69.53 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.612 1.551 . . . . 0.0 114.887 -164.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -73.22 -9.71 59.0 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.0 p -86.49 -8.13 57.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.56 142.91 42.65 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.743 -1.223 . . . . 0.0 112.263 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -143.2 166.78 23.76 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.441 1.897 . . . . 0.0 110.723 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -121.84 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 C-N-CA 124.236 1.015 . . . . 0.0 109.118 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -106.47 121.08 43.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 125.35 1.46 . . . . 0.0 110.548 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -116.84 99.09 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.333 1.453 . . . . 0.0 108.301 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -70.56 112.66 6.98 Favored 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.875 -0.515 . . . . 0.0 110.925 -173.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.35 -15.52 57.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.56 6.29 18.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.868 1.267 . . . . 0.0 113.936 167.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 51.29 43.0 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 127.959 2.504 . . . . 0.0 114.543 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -102.43 -17.28 15.89 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.37 24.82 67.26 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 119.726 1.148 . . . . 0.0 114.755 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -108.33 125.68 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 C-N-CA 125.528 1.531 . . . . 0.0 107.965 166.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 t -87.83 131.9 34.37 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.485 1.038 . . . . 0.0 113.519 -167.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -132.43 151.76 51.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.561 1.544 . . . . 0.0 111.057 171.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -25.75 68.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 115.656 1.725 . . . . 0.0 115.656 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -66.12 -17.79 64.94 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.37 -8.16 39.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.286 1.834 . . . . 0.0 113.396 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.94 152.11 20.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.363 1.465 . . . . 0.0 111.341 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -143.27 154.6 43.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.818 2.047 . . . . 0.0 111.754 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.2 p -78.74 167.12 21.66 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.426 164.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.75 -42.05 67.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 121.488 -0.758 . . . . 0.0 112.03 173.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.46 -42.03 98.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.107 0.963 . . . . 0.0 112.813 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.63 -24.18 64.52 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 120.85 -1.156 . . . . 0.0 112.748 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.5 0.38 56.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.567 1.547 . . . . 0.0 113.587 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.13 24.0 71.65 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.478 1.037 . . . . 0.0 114.379 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.0 mt -85.64 127.9 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.552 1.176 . . . . 0.0 108.263 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -107.49 -44.81 4.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.606 0.762 . . . . 0.0 112.536 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.3 p -155.05 158.41 39.04 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 119.044 0.838 . . . . 0.0 112.322 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.94 139.7 52.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.894 1.278 . . . . 0.0 110.579 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.57 135.35 34.15 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.054 0.942 . . . . 0.0 112.298 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.5 mt -95.56 0.02 52.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.94 137.46 33.09 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 121.162 -0.961 . . . . 0.0 111.647 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -150.19 173.19 14.2 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.539 1.136 . . . . 0.0 112.496 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -126.24 137.76 53.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 127.821 2.448 . . . . 0.0 109.727 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.35 127.93 34.19 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.665 0.786 . . . . 0.0 110.864 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.44 -30.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -173.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 44.42 46.19 7.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.486 1.914 . . . . 0.0 115.168 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.9 120.57 31.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.147 1.779 . . . . 0.0 111.713 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -72.62 113.63 9.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.036 -1.04 . . . . 0.0 110.34 170.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 17.2 mt -83.79 -22.24 31.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 108.59 175.72 21.77 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 125.434 1.493 . . . . 0.0 113.607 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 53.22 31.77 12.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 113.399 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.75 2.14 86.85 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.733 2.111 . . . . 0.0 116.005 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -108.71 144.12 36.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 120.087 1.944 . . . . 0.0 113.722 -170.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 96.1 m -141.0 124.79 16.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.591 1.156 . . . . 0.0 111.917 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 18.8 tp -87.76 110.25 20.32 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.802 1.641 . . . . 0.0 110.239 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.54 8.34 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -127.62 145.34 50.91 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.09 1.756 . . . . 0.0 110.098 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -135.96 141.39 44.45 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.598 1.159 . . . . 0.0 113.134 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.33 -150.78 5.37 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 128.889 3.138 . . . . 0.0 110.896 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.4 m -138.4 171.26 14.64 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.782 1.233 . . . . 0.0 114.132 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -127.1 158.9 35.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.826 2.05 . . . . 0.0 110.77 166.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.0 m -108.62 135.91 49.08 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.57 1.548 . . . . 0.0 111.849 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -100.55 159.29 15.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.74 1.616 . . . . 0.0 113.287 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.5 p -63.27 -25.71 68.45 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.24 1.816 . . . . 0.0 114.308 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -79.4 0.57 28.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.498 1.519 . . . . 0.0 114.773 171.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.69 77.03 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 126.279 1.895 . . . . 0.0 115.35 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 41.4 p -81.22 164.81 22.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.224 1.512 . . . . 0.0 112.41 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 50.5 p -122.61 153.1 39.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.965 1.306 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.09 161.65 37.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.517 1.127 . . . . 0.0 111.131 170.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -70.77 152.33 43.89 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -172.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.0 ptm -145.77 165.13 29.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.75 1.62 . . . . 0.0 110.498 165.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.56 165.99 34.54 Favored Glycine 0 N--CA 1.443 -0.874 0 O-C-N 120.689 -1.257 . . . . 0.0 113.979 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -82.6 106.82 14.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.784 -0.833 . . . . 0.0 110.328 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.48 113.98 25.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.002 1.321 . . . . 0.0 109.862 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.53 126.5 30.0 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 167.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 124.217 1.007 . . . . 0.0 113.654 -168.121 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.46 -0.477 0 CA-C-O 119.324 -0.365 . . . . 0.0 112.945 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.7 mt -68.88 127.95 34.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.83 153.92 45.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.338 2.655 . . . . 0.0 111.923 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -123.68 142.47 51.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.23 1.812 . . . . 0.0 110.636 176.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.84 97.04 7.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.636 1.575 . . . . 0.0 109.334 167.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.77 -13.44 39.49 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -167.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -112.18 -2.23 15.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.97 31.79 25.28 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 116.961 1.544 . . . . 0.0 116.961 168.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -126.4 23.1 6.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 119.665 1.732 . . . . 0.0 114.583 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.73 150.71 27.44 Favored Glycine 0 C--N 1.339 0.75 0 C-N-CA 126.636 2.065 . . . . 0.0 112.8 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -70.06 128.69 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -135.69 164.13 28.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.717 1.207 . . . . 0.0 113.182 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -132.1 161.63 32.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.32 1.448 . . . . 0.0 113.878 -167.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.448 -0.53 0 C-N-CA 125.929 1.692 . . . . 0.0 112.115 -176.284 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.258 0.551 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.23 144.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 121.613 -0.679 . . . . 0.0 110.28 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t -60.71 151.85 28.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.134 0.973 . . . . 0.0 112.533 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.0 -12.69 61.02 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.06 -11.88 60.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 119.956 1.253 . . . . 0.0 112.737 167.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -112.53 -175.04 2.58 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 128.85 2.86 . . . . 0.0 111.075 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.33 171.24 41.95 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.866 -1.146 . . . . 0.0 114.668 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.8 mt -100.93 141.11 34.29 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.413 1.485 . . . . 0.0 111.615 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 tp -78.79 131.06 36.37 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 123.862 0.865 . . . . 0.0 109.815 171.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 m -145.7 171.16 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.631 1.172 . . . . 0.0 112.368 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -143.69 145.33 32.35 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.879 1.672 . . . . 0.0 110.848 166.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -84.82 134.73 34.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.722 0.692 . . . . 0.0 109.617 165.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -105.18 -15.78 14.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.289 1.835 . . . . 0.0 113.458 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -126.96 2.11 6.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 21.66 70.92 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 120.116 1.326 . . . . 0.0 115.569 171.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -95.52 -2.38 48.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.351 1.461 . . . . 0.0 113.902 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.37 11.84 85.13 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-O 117.935 -1.48 . . . . 0.0 115.743 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.38 162.74 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.966 1.706 . . . . 0.0 111.671 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.0 mm -99.32 100.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 125.843 1.657 . . . . 0.0 109.807 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -147.8 -3.6 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.329 1.451 . . . . 0.0 114.741 -169.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -113.42 30.99 6.79 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 120.555 1.525 . . . . 0.0 114.669 -172.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -74.8 1.51 Allowed Glycine 0 C--N 1.338 0.649 0 C-N-CA 124.337 0.97 . . . . 0.0 114.581 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 2.27 0.73 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.14 2.176 . . . . 0.0 114.743 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.13 -21.2 36.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.589 2.755 . . . . 0.0 113.356 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.8 154.94 19.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.626 1.97 . . . . 0.0 110.313 165.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 70.3 m-85 -107.15 107.31 18.22 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.667 1.187 . . . . 0.0 110.948 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.55 -160.79 10.89 Favored Glycine 0 C--N 1.335 0.487 0 CA-C-N 118.776 0.716 . . . . 0.0 114.649 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -66.7 149.33 50.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.323 -1.104 . . . . 0.0 111.175 166.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.36 6.25 1.85 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -65.32 127.06 30.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 119.897 1.226 . . . . 0.0 110.925 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -76.37 136.79 39.51 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.62 1.168 . . . . 0.0 112.292 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.2 mt -108.56 173.03 6.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.909 2.483 . . . . 0.0 111.853 -173.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.32 71.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -168.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -92.46 12.74 21.78 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 120.029 1.286 . . . . 0.0 113.735 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.42 -2.83 84.18 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 125.712 1.625 . . . . 0.0 115.344 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -69.14 171.29 8.55 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 119.314 1.557 . . . . 0.0 112.786 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -124.41 140.76 52.65 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.465 -0.772 . . . . 0.0 111.863 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 144.39 44.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.701 0.8 . . . . 0.0 111.681 172.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -83.64 -22.96 32.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -158.96 173.17 16.91 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.941 1.697 . . . . 0.0 111.74 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.55 -38.83 96.47 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -67.62 -37.2 82.16 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 118.643 1.222 . . . . 0.0 112.235 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.35 73.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.827 0.74 . . . . 0.0 112.843 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -30.28 70.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.087 -1.008 . . . . 0.0 113.222 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.22 -28.17 22.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.548 1.139 . . . . 0.0 112.974 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -21.8 65.26 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.45 -17.18 64.14 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.717 1.207 . . . . 0.0 113.857 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.6 mt -99.35 1.5 44.47 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -166.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -78.32 119.31 21.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.759 0.709 . . . . 0.0 109.659 166.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -90.22 -30.96 17.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.879 -1.138 . . . . 0.0 113.611 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -107.43 -3.9 19.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.196 1.798 . . . . 0.0 115.157 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.35 36.08 40.45 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 119.042 0.837 . . . . 0.0 114.86 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.1 p30 -96.29 -3.05 44.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.034 1.334 . . . . 0.0 113.51 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.252 4.0 t30 66.33 25.96 10.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 127.412 2.285 . . . . 0.0 115.098 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 pt -132.94 154.35 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.248 1.419 . . . . 0.0 111.591 167.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -100.67 119.09 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 124.425 1.09 . . . . 0.0 109.006 171.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -151.03 168.82 23.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.756 1.223 . . . . 0.0 112.087 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.25 -16.63 47.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 -167.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.65 58.56 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 171.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -69.87 146.04 51.58 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.937 1.295 . . . . 0.0 113.255 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.34 72.96 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -173.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.85 -19.86 60.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.58 -44.6 89.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -152.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 119.79 1.177 . . . . 0.0 113.8 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.4 m -76.67 -22.97 53.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 120.949 -1.094 . . . . 0.0 112.013 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.9 mt -71.96 142.35 49.41 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.0 110.753 170.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -142.25 171.59 13.85 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.223 2.209 . . . . 0.0 110.193 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.9 t -124.64 135.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.699 1.2 . . . . 0.0 110.372 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -112.19 120.61 42.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.54 1.536 . . . . 0.0 110.595 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.48 101.34 9.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.717 1.207 . . . . 0.0 109.745 173.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.25 118.18 19.5 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.674 -0.641 . . . . 0.0 112.081 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.6 mt -88.58 -22.35 23.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -114.04 -12.49 12.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 51.31 60.86 3.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.999 2.119 . . . . 0.0 113.84 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -96.23 -11.18 26.42 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.685 1.994 . . . . 0.0 114.24 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.12 11.13 83.99 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 125.164 1.364 . . . . 0.0 115.044 -170.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -128.36 142.0 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.739 2.015 . . . . 0.0 110.225 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.0 t -93.38 140.12 29.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.384 -0.822 . . . . 0.0 112.398 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -136.59 149.67 48.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 126.354 1.862 . . . . 0.0 109.802 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.67 -23.44 66.78 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -164.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -67.42 -13.55 62.13 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.173 1.389 . . . . 0.0 114.186 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -97.5 -5.39 36.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.946 1.698 . . . . 0.0 113.689 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.13 151.47 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.311 1.044 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.13 153.52 45.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.497 2.319 . . . . 0.0 110.46 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -78.53 158.78 28.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.457 1.123 . . . . 0.0 111.548 167.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -33.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.164 -0.96 . . . . 0.0 110.814 167.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.81 -40.06 63.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.977 1.311 . . . . 0.0 112.81 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -71.22 -26.15 62.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.216 -1.552 . . . . 0.0 112.791 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -80.44 -1.91 43.56 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.652 1.581 . . . . 0.0 113.477 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.54 26.81 72.89 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.368 0.985 . . . . 0.0 114.893 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.83 129.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 124.883 1.273 . . . . 0.0 108.709 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -101.19 -41.16 6.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.54 1.136 . . . . 0.0 112.237 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.3 p -157.89 160.21 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -124.08 139.33 54.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.76 1.624 . . . . 0.0 110.046 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -86.37 133.76 33.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.081 0.952 . . . . 0.0 111.159 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.44 -4.76 58.57 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.58 28.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.843 0.857 . . . . 0.0 112.494 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -145.34 166.5 25.39 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -127.08 144.07 51.12 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 128.642 2.777 . . . . 0.0 110.649 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -81.29 134.36 35.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.662 0.785 . . . . 0.0 111.312 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.61 -29.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 125.137 1.375 . . . . 0.0 113.744 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.2 m120 51.09 45.53 27.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.957 1.703 . . . . 0.0 114.002 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -103.24 128.13 50.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.657 1.983 . . . . 0.0 112.153 -163.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -79.16 124.6 28.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.353 1.461 . . . . 0.0 110.148 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.58 -24.16 12.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 116.18 157.44 11.12 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.518 1.056 . . . . 0.0 113.35 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 m120 58.82 30.61 20.29 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.423 1.889 . . . . 0.0 114.376 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.66 78.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 125.171 1.367 . . . . 0.0 116.002 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.79 144.77 40.54 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.031 1.416 . . . . 0.0 111.903 -170.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.3 m -138.87 126.58 22.06 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.95 0.9 . . . . 0.0 112.103 -169.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 35.5 tp -81.54 106.76 13.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.35 1.06 . . . . 0.0 110.18 172.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.22 -54.2 7.52 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 118.328 0.513 . . . . 0.0 111.89 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -135.65 152.54 51.32 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.558 1.143 . . . . 0.0 111.322 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -141.25 150.76 43.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.102 1.361 . . . . 0.0 112.399 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.33 -154.38 7.06 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 127.869 2.652 . . . . 0.0 110.985 168.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 49.9 m -133.66 151.88 51.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 119.082 1.441 . . . . 0.0 114.114 -176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -118.5 155.34 31.01 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.698 1.599 . . . . 0.0 110.413 171.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.2 m -116.14 134.4 54.98 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.04 1.336 . . . . 0.0 112.248 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -96.03 163.05 13.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.81 1.644 . . . . 0.0 113.102 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.8 p -60.03 -31.31 69.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.196 1.399 . . . . 0.0 113.317 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -76.54 0.12 21.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.21 -0.2 88.74 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 125.023 1.297 . . . . 0.0 116.331 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 47.5 p -78.3 163.31 25.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 119.011 1.405 . . . . 0.0 111.919 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.2 p -125.58 161.33 27.45 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.465 1.106 . . . . 0.0 112.852 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -148.0 168.16 23.03 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.758 1.223 . . . . 0.0 110.391 165.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -67.68 147.32 52.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -134.6 160.56 37.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.802 1.641 . . . . 0.0 109.072 163.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.31 172.04 42.29 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 120.995 -1.066 . . . . 0.0 115.644 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -90.08 105.35 17.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.167 1.387 . . . . 0.0 109.909 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.92 121.25 44.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 127.128 2.171 . . . . 0.0 110.312 -172.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.7 mt -75.97 128.89 36.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.504 1.122 . . . . 0.0 110.778 174.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.446 -0.654 0 C-N-CA 125.456 1.502 . . . . 0.0 111.619 -171.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 10.2 Cg_exo . . . . . 0 C--O 1.226 -0.123 0 N-CA-C 113.2 0.423 . . . . 0.0 113.2 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.75 136.32 56.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.884 0.874 . . . . 0.0 112.935 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.31 154.15 50.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.684 1.994 . . . . 0.0 112.065 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -116.58 141.63 47.95 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 110.594 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -77.29 105.05 8.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.506 1.122 . . . . 0.0 110.43 168.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -89.17 -41.44 12.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.081 -1.012 . . . . 0.0 113.651 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -86.23 -3.93 59.07 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 120.754 1.615 . . . . 0.0 114.143 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.92 31.34 26.55 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.551 165.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -124.15 17.06 9.18 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 119.903 1.851 . . . . 0.0 113.786 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.75 149.55 25.81 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 127.083 2.278 . . . . 0.0 113.531 -172.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 mt -69.16 131.4 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 121.879 -0.777 . . . . 0.0 109.95 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -119.39 158.53 25.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.659 1.584 . . . . 0.0 113.06 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -136.43 164.46 28.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.219 1.408 . . . . 0.0 112.397 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 m . . . . . 0 CA--C 1.514 -0.431 0 C-N-CA 127.159 2.183 . . . . 0.0 111.786 -177.134 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 . . . . . 0 N--CA 1.445 -0.685 0 CA-C-O 121.403 0.621 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.7 142.63 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 121.254 -0.904 . . . . 0.0 111.294 170.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -59.83 150.06 29.45 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.542 1.137 . . . . 0.0 112.179 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.74 -19.82 66.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.47 -7.11 55.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.671 1.189 . . . . 0.0 113.759 173.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -119.51 -170.95 2.03 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 128.859 2.864 . . . . 0.0 111.77 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.01 160.46 33.95 Favored Glycine 0 N--CA 1.448 -0.538 0 O-C-N 121.155 -0.966 . . . . 0.0 115.075 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.7 mt -83.7 141.79 31.2 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.204 1.002 . . . . 0.0 111.514 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -76.8 128.35 34.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.62 -0.675 . . . . 0.0 109.545 166.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.68 162.16 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -143.65 116.64 8.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.714 1.206 . . . . 0.0 110.74 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -76.52 114.38 15.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.911 0.485 . . . . 0.0 110.306 171.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.41 -8.88 40.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 126.351 1.86 . . . . 0.0 114.347 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -126.83 -4.08 6.44 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.94 20.69 69.88 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -84.52 -0.02 51.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.05 -0.51 87.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 126.106 1.812 . . . . 0.0 115.094 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 pt -133.24 160.45 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 125.339 1.456 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.38 100.12 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.782 1.633 . . . . 0.0 108.552 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -143.6 3.26 1.28 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -167.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -119.4 150.51 40.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.898 1.679 . . . . 0.0 111.634 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.28 -30.26 70.62 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 125.073 1.321 . . . . 0.0 115.394 -171.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.34 -2.54 53.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.26 -9.34 57.85 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 124.834 1.254 . . . . 0.0 114.254 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.7 mt -97.78 151.64 19.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.631 1.572 . . . . 0.0 109.941 162.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 91.4 m-85 -93.95 110.94 22.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.33 -0.857 . . . . 0.0 109.326 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.46 -156.44 9.93 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 124.205 0.907 . . . . 0.0 111.971 -175.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -71.37 160.11 33.36 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 122.13 0.967 . . . . 0.0 112.828 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.16 6.3 2.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 127.106 2.163 . . . . 0.0 116.131 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.0 m -62.55 129.87 42.56 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 119.849 -1.782 . . . . 0.0 109.21 160.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -84.28 142.38 30.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.109 -0.995 . . . . 0.0 111.166 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.6 mt -108.04 165.98 11.07 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 127.15 2.18 . . . . 0.0 111.986 -170.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.6 72.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -169.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -78.84 -7.26 57.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.997 1.319 . . . . 0.0 113.587 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.72 -1.74 61.82 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 126.198 1.856 . . . . 0.0 114.857 -173.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.6 m -72.38 171.4 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 119.668 1.734 . . . . 0.0 112.401 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.75 147.76 34.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.057 0.943 . . . . 0.0 111.987 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.23 134.79 50.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.172 1.389 . . . . 0.0 111.547 174.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -74.73 -31.33 61.8 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.312 1.445 . . . . 0.0 112.915 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -160.36 167.34 27.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.028 1.731 . . . . 0.0 111.632 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.11 -26.92 69.71 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 -173.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.58 -37.97 74.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.982 1.391 . . . . 0.0 111.874 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.92 72.85 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 118.986 0.812 . . . . 0.0 112.611 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.26 71.84 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.4 tp -82.57 -34.8 27.61 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.191 1.396 . . . . 0.0 113.831 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.44 -20.91 61.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.79 -21.08 60.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.1 mt -94.71 3.47 55.01 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -170.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -79.25 123.62 27.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.513 1.506 . . . . 0.0 111.445 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 m -92.84 -14.54 27.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.765 2.026 . . . . 0.0 114.403 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -109.38 -21.56 12.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.22 46.5 20.94 Favored Glycine 0 C--O 1.225 -0.467 0 C-N-CA 123.921 0.772 . . . . 0.0 112.976 -172.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -124.24 1.87 8.49 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.473 1.509 . . . . 0.0 114.281 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 t30 60.02 24.92 14.12 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 127.67 2.388 . . . . 0.0 116.135 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.8 pt -134.38 157.97 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 125.523 1.529 . . . . 0.0 112.059 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.16 118.58 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.145 1.378 . . . . 0.0 110.024 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -158.98 175.52 13.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.712 1.605 . . . . 0.0 111.641 -167.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.0 -13.25 23.93 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.93 -12.48 60.97 Favored 'General case' 0 N--CA 1.445 -0.724 0 O-C-N 120.463 -1.398 . . . . 0.0 114.403 167.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -87.27 142.99 27.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.319 1.447 . . . . 0.0 114.316 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.52 78.02 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.112 1.365 . . . . 0.0 114.033 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 -16.14 44.56 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.16 -42.74 73.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -161.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -72.25 -7.75 51.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.783 -1.198 . . . . 0.0 113.894 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.8 m -96.75 -2.87 43.46 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 125.202 1.401 . . . . 0.0 113.386 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.85 147.56 41.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 119.536 1.062 . . . . 0.0 110.994 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -138.29 171.72 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.864 2.066 . . . . 0.0 110.702 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -123.82 128.7 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.321 1.448 . . . . 0.0 110.025 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -100.77 121.39 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.063 0.945 . . . . 0.0 111.601 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -115.79 99.09 7.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.703 1.601 . . . . 0.0 110.185 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -86.15 93.66 9.08 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.44 0.638 . . . . 0.0 109.62 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.4 mt -72.11 -25.86 61.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.54 1.136 . . . . 0.0 112.989 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.89 -9.62 59.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.998 1.319 . . . . 0.0 112.736 167.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 59.54 32.86 21.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.002 1.721 . . . . 0.0 113.122 169.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -88.82 -31.32 18.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 120.612 -1.305 . . . . 0.0 114.075 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.38 15.77 54.6 Favored Glycine 0 C--N 1.341 0.844 0 N-CA-C 115.414 0.926 . . . . 0.0 115.414 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -120.17 139.9 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.063 1.745 . . . . 0.0 108.229 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.8 t -94.75 132.72 39.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -165.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -117.56 147.37 42.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.485 1.914 . . . . 0.0 109.507 167.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.73 71.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -164.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -66.1 -20.85 66.29 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -79.45 -6.42 56.86 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 120.536 1.516 . . . . 0.0 113.583 -175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.58 135.9 33.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 110.741 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -107.55 150.55 26.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.236 2.614 . . . . 0.0 110.798 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -71.46 158.39 36.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.007 0.923 . . . . 0.0 111.661 161.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.89 -26.18 62.23 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.338 -0.851 . . . . 0.0 110.694 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.04 -48.57 67.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.145 1.378 . . . . 0.0 111.762 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -27.97 65.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.69 -1.256 . . . . 0.0 113.867 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -79.81 -17.14 54.05 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.171 1.388 . . . . 0.0 113.037 171.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.43 47.08 44.99 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.431 1.015 . . . . 0.0 113.411 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.14 125.44 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 127.305 2.242 . . . . 0.0 109.61 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -108.21 -47.97 3.44 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.493 1.117 . . . . 0.0 113.572 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.5 p -154.58 145.92 22.98 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.107 0.867 . . . . 0.0 112.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.93 137.34 51.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.222 1.409 . . . . 0.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -81.58 130.72 35.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.102 0.961 . . . . 0.0 111.126 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -82.53 -7.86 59.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 174.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -83.05 151.15 25.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.216 0.917 . . . . 0.0 112.335 170.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -147.72 166.79 26.41 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.56 1.144 . . . . 0.0 112.151 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -121.48 137.74 54.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.555 1.542 . . . . 0.0 109.155 162.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -75.19 136.73 41.0 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.001 0.521 . . . . 0.0 111.412 172.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.0 m -132.75 -24.65 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 46.08 46.93 12.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -87.74 123.03 32.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.061 1.344 . . . . 0.0 111.392 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -88.54 104.62 17.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.296 1.039 . . . . 0.0 109.876 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.05 10.53 37.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.442 1.497 . . . . 0.0 114.822 -168.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 74.21 175.79 33.84 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 120.664 -1.273 . . . . 0.0 113.816 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.5 m120 54.31 22.19 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.176 1.79 . . . . 0.0 115.116 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.08 13.76 68.25 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -109.85 138.13 46.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 118.914 1.357 . . . . 0.0 112.764 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.3 m -138.22 127.5 24.48 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.202 1.001 . . . . 0.0 111.005 173.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 55.3 tp -84.04 110.83 18.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 109.055 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.06 -50.59 11.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.865 0.466 . . . . 0.0 111.956 -177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.14 147.34 29.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.842 1.257 . . . . 0.0 112.411 -175.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -132.06 146.05 51.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 111.942 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.39 5.4 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 127.977 2.703 . . . . 0.0 110.965 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.5 m -133.96 163.25 29.95 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -135.07 156.47 48.98 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.84 1.656 . . . . 0.0 111.186 165.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.8 m -107.55 141.31 39.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 126.437 1.895 . . . . 0.0 110.217 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -97.5 161.29 13.85 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.084 1.754 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 51.7 p -68.04 -10.54 54.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -93.13 1.14 57.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 126.032 1.733 . . . . 0.0 114.801 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.03 -6.49 82.68 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 125.543 1.544 . . . . 0.0 116.094 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 57.0 p -77.7 166.52 22.87 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.147 1.474 . . . . 0.0 111.959 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 74.3 p -124.55 158.24 33.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.76 0.824 . . . . 0.0 113.075 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.37 163.3 36.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.252 1.421 . . . . 0.0 110.966 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -75.87 153.19 36.93 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.998 0.904 . . . . 0.0 113.345 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptm -142.45 161.39 38.17 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.93 1.692 . . . . 0.0 109.945 166.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.07 169.64 42.57 Favored Glycine 0 N--CA 1.443 -0.836 0 O-C-N 121.059 -1.026 . . . . 0.0 114.62 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -97.65 117.5 32.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.432 1.493 . . . . 0.0 110.258 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.57 128.66 54.72 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.014 0.926 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.15 116.88 21.91 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.753 1.621 . . . . 0.0 108.851 171.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.447 -0.624 0 C-N-CA 124.588 1.155 . . . . 0.0 110.948 -170.16 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo . . . . . 0 CA--C 1.53 0.275 0 N-CA-C 114.32 0.854 . . . . 0.0 114.32 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.68 126.3 29.27 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.369 1.068 . . . . 0.0 111.527 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.89 143.15 51.19 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.02 1.728 . . . . 0.0 112.002 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -115.81 137.11 52.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.029 2.532 . . . . 0.0 110.168 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.79 111.57 19.31 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.456 1.502 . . . . 0.0 109.448 166.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.68 -27.03 21.52 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -170.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -111.76 -17.87 12.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.89 55.3 1.77 Allowed Glycine 0 C--N 1.343 0.942 0 O-C-N 120.992 -1.068 . . . . 0.0 114.719 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -144.96 25.62 1.41 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 167.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.47 175.53 45.69 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 125.429 1.49 . . . . 0.0 113.44 -176.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mt -92.59 137.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 C-N-CA 125.298 1.439 . . . . 0.0 108.865 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -120.77 151.16 39.93 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.785 1.634 . . . . 0.0 110.298 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -133.27 165.84 23.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.854 -1.154 . . . . 0.0 112.666 -173.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 C--O 1.223 -0.326 0 C-N-CA 126.568 1.947 . . . . 0.0 110.645 175.67 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.78 151.5 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.97 -1.081 . . . . 0.0 112.167 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 p -64.53 158.25 24.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -14.08 39.93 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.707 -1.246 . . . . 0.0 114.269 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.27 -28.45 59.79 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.948 1.299 . . . . 0.0 113.636 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -109.11 143.61 38.25 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.602 1.561 . . . . 0.0 113.31 -168.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.32 127.32 8.86 Favored Glycine 0 C--N 1.337 0.591 0 O-C-N 121.493 -0.754 . . . . 0.0 113.91 -167.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.15 144.85 29.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.631 1.216 . . . . 0.0 111.04 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 tp -86.98 128.61 35.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 123.401 0.68 . . . . 0.0 111.484 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -143.21 164.43 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 125.088 1.355 . . . . 0.0 113.1 -176.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -152.28 113.01 4.15 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.294 1.838 . . . . 0.0 110.602 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -81.68 113.98 20.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.906 0.882 . . . . 0.0 110.816 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.6 -13.32 62.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -102.13 -9.54 20.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.848 1.659 . . . . 0.0 113.398 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.94 85.87 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.241 0.924 . . . . 0.0 115.085 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -110.01 -7.23 14.97 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 118.652 1.226 . . . . 0.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.74 39.38 Favored Glycine 0 C--N 1.341 0.821 0 C-N-CA 126.026 1.774 . . . . 0.0 115.81 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.3 mm -126.02 124.68 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 118.775 1.287 . . . . 0.0 111.503 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.84 101.56 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.278 1.831 . . . . 0.0 108.37 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.35 -15.78 2.17 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.43 154.03 22.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.965 1.306 . . . . 0.0 114.064 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.94 -18.83 34.81 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 126.22 1.867 . . . . 0.0 116.99 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.91 -9.42 58.73 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.715 1.758 . . . . 0.0 114.847 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.74 -22.12 17.16 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -160.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.78 134.54 44.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.542 1.537 . . . . 0.0 109.556 167.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.65 123.71 32.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.217 0.607 . . . . 0.0 111.426 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.18 -158.11 25.43 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 125.941 1.734 . . . . 0.0 111.97 -175.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -70.4 143.03 51.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.441 1.115 . . . . 0.0 112.557 169.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.12 20.9 8.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.151 2.18 . . . . 0.0 115.051 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.5 m -62.62 133.22 54.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.854 -1.154 . . . . 0.0 109.999 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -83.76 140.78 31.87 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.51 172.14 6.99 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 127.555 2.342 . . . . 0.0 112.774 -172.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.52 63.69 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -103.21 11.14 37.3 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.036 1.334 . . . . 0.0 112.876 171.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.04 -3.87 84.64 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 125.803 1.668 . . . . 0.0 115.523 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -67.44 154.93 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.893 1.846 . . . . 0.0 112.103 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -99.88 129.79 46.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 123.932 0.893 . . . . 0.0 111.867 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.35 135.36 44.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.448 1.099 . . . . 0.0 112.135 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -74.21 -26.1 60.06 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -174.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -155.82 169.92 23.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.361 2.264 . . . . 0.0 110.899 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.62 -29.91 76.46 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 115.579 0.992 . . . . 0.0 115.579 -172.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.79 -32.41 67.6 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 118.413 1.106 . . . . 0.0 112.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.93 69.57 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 118.549 0.613 . . . . 0.0 111.902 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.83 81.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.736 0.814 . . . . 0.0 112.989 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.2 tp -84.95 -32.63 22.94 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.431 1.093 . . . . 0.0 113.596 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -19.23 63.75 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -64.53 -18.52 64.9 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 mt -96.23 5.88 50.03 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.58 120.96 21.71 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 121.213 -0.929 . . . . 0.0 110.313 165.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -87.94 -33.47 18.45 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -109.18 -19.17 13.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.306 1.443 . . . . 0.0 114.834 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.49 71.57 1.31 Allowed Glycine 0 C--O 1.224 -0.502 0 CA-C-N 119.394 0.997 . . . . 0.0 112.729 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -132.02 4.44 4.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.542 1.537 . . . . 0.0 113.331 172.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.8 t30 61.37 22.41 12.8 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.622 2.369 . . . . 0.0 114.836 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 pt -131.74 150.24 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 124.739 1.216 . . . . 0.0 111.588 171.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.2 mm -98.12 110.45 25.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 172.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -143.28 169.14 18.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.688 1.595 . . . . 0.0 111.935 -170.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.48 -16.08 33.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -168.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.67 -14.55 58.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.18 149.85 40.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 120.196 1.362 . . . . 0.0 113.577 171.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.36 69.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.1 -17.55 32.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -54.42 -47.95 72.21 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 120.31 1.414 . . . . 0.0 113.78 -167.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.86 -11.32 60.55 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 124.135 0.974 . . . . 0.0 113.229 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.0 m -85.23 -26.42 26.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.217 1.407 . . . . 0.0 113.696 172.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.94 149.34 47.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 121.268 -0.895 . . . . 0.0 112.325 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -135.52 156.71 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.887 1.275 . . . . 0.0 111.634 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -110.97 137.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.439 1.496 . . . . 0.0 109.273 171.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -128.58 127.21 41.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.469 1.508 . . . . 0.0 113.377 -164.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -125.61 133.76 52.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.365 1.466 . . . . 0.0 112.147 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -79.21 67.24 4.88 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.648 1.113 . . . . 0.0 113.478 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.08 -36.1 76.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.345 -1.472 . . . . 0.0 112.339 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -85.3 -8.3 58.56 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.638 1.175 . . . . 0.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 55.18 56.31 6.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.745 1.618 . . . . 0.0 113.241 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -153.42 147.84 25.99 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 127.205 2.202 . . . . 0.0 111.988 172.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.08 -13.54 57.74 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 120.254 -1.529 . . . . 0.0 116.356 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -80.47 153.47 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.476 1.51 . . . . 0.0 112.563 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.49 145.94 52.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.379 1.471 . . . . 0.0 113.385 170.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -137.5 149.58 46.89 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.724 2.01 . . . . 0.0 109.269 157.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.28 97.12 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 120.195 -1.565 . . . . 0.0 114.726 -168.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -68.14 -8.12 35.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.949 1.3 . . . . 0.0 114.289 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -77.84 -13.8 59.77 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.6 154.95 19.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.184 1.394 . . . . 0.0 112.491 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -139.38 145.37 38.87 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 127.458 2.303 . . . . 0.0 110.055 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -70.1 165.68 21.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.801 0.841 . . . . 0.0 111.72 162.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 97.8 mt -74.54 -35.46 63.12 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.467 -0.771 . . . . 0.0 110.954 170.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.49 -37.82 83.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.33 -24.79 62.18 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.792 1.178 . . . . 0.0 113.231 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.7 -7.76 59.63 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.019 1.328 . . . . 0.0 113.543 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.22 36.73 59.87 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 119.194 0.906 . . . . 0.0 113.061 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.1 mt -90.63 135.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.89 1.345 . . . . 0.0 110.457 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -97.26 -45.56 6.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.929 1.691 . . . . 0.0 111.912 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.6 p -163.09 161.52 25.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.486 0.715 . . . . 0.0 112.209 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mp -114.24 138.37 50.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.055 1.342 . . . . 0.0 109.666 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -85.87 126.67 34.24 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.321 1.049 . . . . 0.0 111.182 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.74 -12.73 60.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.86 139.13 41.53 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 119.43 1.014 . . . . 0.0 112.251 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -142.85 165.92 26.06 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 124.492 1.117 . . . . 0.0 111.751 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 109.687 165.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.69 126.1 29.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 169.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.39 -31.26 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 43.84 61.74 2.19 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.439 1.895 . . . . 0.0 113.657 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -106.64 137.76 44.06 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.127 2.171 . . . . 0.0 112.531 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.56 137.62 42.5 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.988 0.915 . . . . 0.0 111.535 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.41 5.14 34.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.314 1.446 . . . . 0.0 113.532 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.91 -175.48 27.29 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 121.362 -0.836 . . . . 0.0 111.905 -155.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 54.87 18.83 2.34 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.402 1.481 . . . . 0.0 114.863 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.9 8.3 72.8 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 124.905 1.24 . . . . 0.0 115.367 -174.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -102.97 155.53 18.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.274 1.537 . . . . 0.0 112.284 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 m -130.93 136.42 48.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.2 tp -89.3 108.47 19.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.035 1.334 . . . . 0.0 108.409 162.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.46 -49.5 11.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 117.863 0.302 . . . . 0.0 111.659 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -134.97 134.68 40.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.208 1.403 . . . . 0.0 110.288 -171.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -125.47 139.95 53.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.139 0.976 . . . . 0.0 111.862 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.75 -148.71 5.06 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 126.634 2.064 . . . . 0.0 112.213 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.2 p -148.38 167.59 24.85 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -130.64 161.97 30.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.988 1.315 . . . . 0.0 110.045 162.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 97.7 m -116.38 136.26 53.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.4 1.48 . . . . 0.0 110.946 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.71 156.26 16.64 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.401 1.88 . . . . 0.0 111.493 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 35.4 p -62.65 -23.4 67.07 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -73.54 4.74 4.51 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.946 1.698 . . . . 0.0 115.402 171.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.83 14.13 82.69 Favored Glycine 0 N--CA 1.446 -0.685 0 O-C-N 120.834 -1.166 . . . . 0.0 114.817 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 24.9 p -98.49 158.83 15.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.886 1.343 . . . . 0.0 112.285 173.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 m -106.64 150.8 25.85 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.762 1.225 . . . . 0.0 110.39 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -142.1 158.24 43.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 126.617 1.967 . . . . 0.0 111.469 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.87 144.22 28.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.951 -1.093 . . . . 0.0 113.317 -169.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.9 ptm -151.12 166.33 31.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.234 1.014 . . . . 0.0 112.209 163.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.02 170.86 44.03 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 123.175 0.417 . . . . 0.0 113.557 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -95.14 124.36 39.14 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.658 1.183 . . . . 0.0 110.557 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.64 150.34 26.32 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.74 1.216 . . . . 0.0 111.598 -175.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.0 mt -103.47 115.53 30.7 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.243 1.817 . . . . 0.0 106.801 166.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.449 -0.476 0 C-N-CA 124.306 1.042 . . . . 0.0 108.659 -171.256 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo . . . . . 0 N--CA 1.48 0.694 0 N-CA-C 112.948 0.326 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.38 131.5 46.61 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.133 0.573 . . . . 0.0 112.106 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.85 147.8 50.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.49 1.916 . . . . 0.0 112.42 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.6 142.23 46.23 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 126.639 1.976 . . . . 0.0 110.162 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -88.09 108.4 19.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.217 1.407 . . . . 0.0 110.95 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.06 -35.87 15.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -172.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -95.34 -10.49 29.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 120.716 1.598 . . . . 0.0 114.661 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.54 49.88 2.87 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 115.733 1.053 . . . . 0.0 115.733 168.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -144.57 19.06 1.68 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.984 1.392 . . . . 0.0 114.028 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 170.83 45.62 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 125.67 1.605 . . . . 0.0 113.271 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.9 mm -76.47 132.84 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 121.175 -1.191 . . . . 0.0 110.82 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -119.82 144.45 47.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.014 1.726 . . . . 0.0 112.434 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -129.35 144.87 51.41 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.752 1.221 . . . . 0.0 112.015 168.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.452 -0.34 0 C-N-CA 125.287 1.435 . . . . 0.0 111.495 -176.124 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.22 125.06 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.601 1.56 . . . . 0.0 110.244 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 t -61.13 152.55 28.14 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.196 1.399 . . . . 0.0 112.177 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -10.92 12.48 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.56 -24.17 67.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 165.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -132.65 175.57 9.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.931 2.492 . . . . 0.0 112.054 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.03 151.4 23.29 Favored Glycine 0 N--CA 1.448 -0.528 0 O-C-N 121.284 -0.885 . . . . 0.0 115.111 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.39 137.16 33.55 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.2 1.4 . . . . 0.0 110.42 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.1 tp -74.9 129.35 37.52 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 123.846 0.859 . . . . 0.0 109.687 169.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 m -147.2 165.04 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 124.143 0.977 . . . . 0.0 113.541 -168.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -138.11 131.69 30.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.526 1.93 . . . . 0.0 109.381 166.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -85.03 89.58 7.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.448 -0.783 . . . . 0.0 110.093 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -77.28 0.18 23.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 125.711 1.604 . . . . 0.0 115.142 -168.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -125.17 -3.87 7.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.35 1.46 . . . . 0.0 114.613 167.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.07 18.53 76.53 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 115.765 1.066 . . . . 0.0 115.765 175.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -74.58 -3.76 32.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.499 1.65 . . . . 0.0 115.134 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 -6.69 59.1 Favored Glycine 0 C--N 1.342 0.898 0 C-N-CA 127.257 2.36 . . . . 0.0 115.398 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 pt -137.38 160.72 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 125.554 1.541 . . . . 0.0 112.562 -171.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.1 106.96 20.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 C-N-CA 124.35 1.06 . . . . 0.0 109.183 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.16 -13.66 1.83 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -169.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.62 153.82 22.34 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.693 1.197 . . . . 0.0 112.933 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.44 -30.28 75.87 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 115.898 1.119 . . . . 0.0 115.898 -176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.47 -2.36 57.14 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 119.052 1.426 . . . . 0.0 114.039 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -82.29 -23.45 35.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.601 1.091 . . . . 0.0 112.846 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.24 153.3 21.59 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 125.484 1.514 . . . . 0.0 110.065 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -85.48 115.02 22.96 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.642 -1.286 . . . . 0.0 111.199 172.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.39 -160.95 34.39 Favored Glycine 0 C--O 1.221 -0.687 0 C-N-CA 124.193 0.901 . . . . 0.0 113.902 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -71.23 -5.63 33.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -170.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -92.66 4.32 53.9 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.764 1.225 . . . . 0.0 112.54 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -92.67 141.57 28.33 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.151 1.38 . . . . 0.0 110.536 172.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.48 138.7 33.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.551 1.141 . . . . 0.0 112.636 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.36 176.88 9.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.08 2.152 . . . . 0.0 111.572 173.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.09 66.15 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -93.9 -0.19 55.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 121.111 1.778 . . . . 0.0 113.543 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.65 -4.14 68.85 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.439 1.971 . . . . 0.0 114.723 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -70.19 142.85 52.39 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 119.658 1.729 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -72.12 139.31 48.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.031 -1.043 . . . . 0.0 112.036 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.77 148.91 51.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.44 -32.49 62.65 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.405 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -159.99 165.71 31.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.097 1.359 . . . . 0.0 112.013 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.84 -32.38 79.24 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 125.906 1.717 . . . . 0.0 114.081 -174.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -70.38 -41.51 72.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.637 1.218 . . . . 0.0 111.839 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.43 86.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.113 0.869 . . . . 0.0 111.996 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.81 -35.97 81.29 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -80.77 -36.44 31.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.267 1.027 . . . . 0.0 113.028 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.56 -20.58 63.43 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.711 1.204 . . . . 0.0 114.168 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -51.81 -27.37 12.2 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.939 1.296 . . . . 0.0 113.747 168.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.6 -2.74 40.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.636 1.574 . . . . 0.0 114.422 -169.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.34 115.59 11.77 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 121.204 1.82 . . . . 0.0 110.021 168.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.9 m -80.52 -18.91 47.07 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 113.406 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.28 -21.86 11.66 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -161.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.2 39.17 37.57 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 119.097 0.862 . . . . 0.0 113.676 -169.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -116.26 6.63 13.85 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.408 1.483 . . . . 0.0 114.225 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 60.43 17.59 7.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.924 2.09 . . . . 0.0 114.573 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.7 pt -131.95 151.1 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.629 1.171 . . . . 0.0 112.808 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.33 115.85 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.695 1.598 . . . . 0.0 108.331 167.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -151.06 173.23 14.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.288 1.835 . . . . 0.0 111.255 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.69 10.79 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -175.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.1 -22.47 63.02 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 120.914 -1.116 . . . . 0.0 113.766 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -77.38 135.56 38.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.698 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.56 66.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.892 1.277 . . . . 0.0 113.704 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.34 -15.94 48.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.46 -35.31 65.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -161.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -82.25 -2.19 51.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.4 p -79.71 -23.68 42.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 120.928 -1.108 . . . . 0.0 113.858 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.03 142.45 52.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.903 1.281 . . . . 0.0 112.209 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -141.35 172.08 13.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.896 2.078 . . . . 0.0 110.441 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.74 140.3 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.12 1.768 . . . . 0.0 110.321 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -116.61 121.01 40.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.454 1.502 . . . . 0.0 110.952 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -117.06 101.92 8.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.914 1.686 . . . . 0.0 109.93 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -77.16 122.57 25.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 118.521 0.601 . . . . 0.0 111.199 -174.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.2 mt -89.08 -17.05 30.07 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -168.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -113.67 -4.42 13.44 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.525 1.53 . . . . 0.0 114.314 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 56.73 48.34 16.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.707 2.003 . . . . 0.0 113.942 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -96.16 -15.56 22.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.665 -1.272 . . . . 0.0 113.908 165.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.76 69.95 Favored Glycine 0 N--CA 1.449 -0.473 0 O-C-N 121.479 -0.763 . . . . 0.0 112.489 -173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.2 mt -121.03 116.11 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.718 1.607 . . . . 0.0 106.982 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -83.23 140.39 32.56 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -164.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -128.46 154.03 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.292 2.237 . . . . 0.0 109.852 167.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.09 72.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -67.36 -12.21 59.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -90.75 -5.93 55.05 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.322 1.449 . . . . 0.0 113.344 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.68 154.07 19.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -142.17 155.76 45.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.611 1.964 . . . . 0.0 110.944 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 59.4 p -80.05 161.56 25.32 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.456 1.502 . . . . 0.0 111.857 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.71 -35.61 72.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.015 0.526 . . . . 0.0 111.448 171.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.69 -44.52 96.04 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.235 1.014 . . . . 0.0 113.19 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.91 -16.9 62.13 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.605 -1.31 . . . . 0.0 114.246 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -94.15 -10.69 32.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.831 1.653 . . . . 0.0 113.151 173.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.8 32.68 56.77 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.2 0.905 . . . . 0.0 114.6 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.7 mt -87.1 128.13 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 124.622 1.169 . . . . 0.0 109.942 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -101.12 -46.03 5.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.154 1.381 . . . . 0.0 112.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.4 p -161.03 161.98 31.6 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.726 0.811 . . . . 0.0 112.589 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mp -119.25 138.15 53.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.934 1.693 . . . . 0.0 109.658 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.61 150.45 24.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -102.0 -3.76 27.18 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -94.23 148.3 22.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.501 1.12 . . . . 0.0 112.283 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.85 169.41 20.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -170.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -132.4 143.05 49.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.795 2.438 . . . . 0.0 110.953 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -74.99 127.86 34.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.259 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.0 p -141.96 -24.91 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 54.09 38.38 28.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 165.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -70.88 127.87 34.09 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.715 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -74.4 124.61 26.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.803 0.841 . . . . 0.0 109.262 165.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.6 mt -111.65 12.44 21.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.88 170.16 28.84 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-O 122.191 0.884 . . . . 0.0 113.921 -174.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 51.16 28.05 3.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.45 1.9 . . . . 0.0 114.512 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.85 1.84 85.11 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.476 1.512 . . . . 0.0 115.549 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -87.54 147.17 25.46 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.039 1.419 . . . . 0.0 111.733 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 61.0 m -142.0 129.51 21.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.83 1.252 . . . . 0.0 110.744 -174.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.2 tt -95.54 113.55 25.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.282 1.033 . . . . 0.0 109.331 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.53 -55.72 4.99 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.665 0.786 . . . . 0.0 112.334 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -131.69 144.79 51.26 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.181 1.393 . . . . 0.0 111.675 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.87 149.75 52.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.196 0.999 . . . . 0.0 112.566 -171.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.06 -162.09 11.49 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 126.571 2.034 . . . . 0.0 112.582 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 77.9 p -112.42 159.28 18.89 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -138.35 160.11 40.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.736 1.614 . . . . 0.0 110.602 162.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.7 m -118.92 143.69 46.86 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 125.708 1.603 . . . . 0.0 111.073 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -101.98 167.8 9.81 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.285 1.834 . . . . 0.0 112.436 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.1 p -67.19 -22.62 65.72 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -78.98 -0.05 29.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 167.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.61 87.98 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 125.617 1.579 . . . . 0.0 115.937 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 56.3 p -72.87 156.11 39.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 119.567 1.683 . . . . 0.0 112.03 172.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 20.5 p -116.95 154.45 30.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 122.069 0.938 . . . . 0.0 113.122 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.15 172.8 12.89 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.152 2.181 . . . . 0.0 110.853 -165.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -100.19 146.26 27.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.083 1.353 . . . . 0.0 113.684 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.7 ptm -146.8 163.15 36.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 125.411 1.484 . . . . 0.0 110.868 168.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.35 170.29 42.5 Favored Glycine 0 C--N 1.331 0.267 0 O-C-N 121.182 -0.949 . . . . 0.0 114.271 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -98.18 132.61 43.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.428 1.091 . . . . 0.0 111.67 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.25 136.04 50.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.202 1.001 . . . . 0.0 111.743 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 80.4 mt -84.28 109.01 17.46 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.469 1.507 . . . . 0.0 107.184 156.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.451 -0.401 0 C-N-CA 123.802 0.841 . . . . 0.0 110.781 -179.157 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.336 0 N-CA-C 113.262 0.447 . . . . 0.0 113.262 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.29 133.11 47.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.52 154.15 49.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.515 1.926 . . . . 0.0 112.871 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -119.87 138.33 53.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.365 1.866 . . . . 0.0 110.636 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -78.96 115.11 18.44 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.214 1.006 . . . . 0.0 110.159 167.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.17 -33.85 18.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -105.78 -16.96 14.53 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.615 1.566 . . . . 0.0 113.803 -175.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 48.33 2.91 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 120.134 1.334 . . . . 0.0 115.221 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -137.88 9.31 2.81 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 155.74 11.17 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 125.817 1.675 . . . . 0.0 113.064 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.9 mt -77.79 109.1 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.68 139.17 31.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.249 1.02 . . . . 0.0 112.386 -171.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -133.55 164.44 27.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.981 1.312 . . . . 0.0 112.928 -173.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.45 -0.452 0 C-N-CA 125.462 1.505 . . . . 0.0 110.508 -179.356 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 . . . . . 0 N--CA 1.443 -0.782 0 CA-C-O 120.916 0.389 . . . . 0.0 111.815 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.42 136.62 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 124.52 1.128 . . . . 0.0 110.052 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -58.71 153.11 17.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.849 -1.157 . . . . 0.0 111.813 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.28 -11.9 4.77 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.62 -41.84 87.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.128 1.371 . . . . 0.0 113.161 170.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -117.26 -169.93 1.75 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.073 2.149 . . . . 0.0 112.61 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.09 159.35 28.3 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -92.11 139.2 30.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 127.238 2.215 . . . . 0.0 110.162 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.6 tp -75.35 135.46 40.85 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 121.189 -0.945 . . . . 0.0 110.778 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.32 159.26 15.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 125.015 1.326 . . . . 0.0 113.368 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -145.85 131.52 18.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 126.22 1.808 . . . . 0.0 109.837 169.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.94 130.95 35.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 118.911 0.778 . . . . 0.0 112.418 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.16 -6.95 22.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.586 1.555 . . . . 0.0 114.339 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -136.84 -5.37 1.93 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.91 22.26 69.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-O 118.575 -1.125 . . . . 0.0 115.805 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -91.34 5.57 48.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.15 74.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.9 pt -129.68 144.46 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 126.458 1.903 . . . . 0.0 110.356 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -82.14 110.31 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 170.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -146.98 -20.07 0.4 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.426 1.491 . . . . 0.0 114.966 -172.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -85.55 9.04 17.08 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.759 -1.213 . . . . 0.0 114.261 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.88 -66.68 1.75 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 125.611 1.577 . . . . 0.0 114.407 173.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 7.54 0.68 Allowed 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.101 1.76 . . . . 0.0 114.817 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -72.11 -23.6 61.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 125.826 1.651 . . . . 0.0 111.633 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.62 157.41 28.7 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.539 1.936 . . . . 0.0 110.195 163.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 88.5 m-85 -96.79 106.9 19.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.844 -1.16 . . . . 0.0 111.031 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.21 -161.68 24.61 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 125.337 1.446 . . . . 0.0 113.482 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -70.01 -13.52 62.27 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -171.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.11 -8.38 56.88 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 120.834 -1.166 . . . . 0.0 113.729 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -78.02 140.82 39.17 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 120.181 1.355 . . . . 0.0 112.647 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.0 142.86 27.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.569 1.147 . . . . 0.0 112.141 167.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.27 179.38 6.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 126.772 2.029 . . . . 0.0 110.889 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.41 41.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 116.62 2.081 . . . . 0.0 116.62 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 p30 -91.58 -5.76 53.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.574 1.079 . . . . 0.0 113.856 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.35 77.48 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.159 1.361 . . . . 0.0 115.79 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.2 p -72.75 152.22 41.73 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 119.017 1.408 . . . . 0.0 111.273 167.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -77.47 145.97 36.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 120.814 -1.179 . . . . 0.0 112.341 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 152.18 43.88 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.017 1.727 . . . . 0.0 112.007 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -76.53 -39.78 51.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 123.919 0.888 . . . . 0.0 112.383 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -159.04 168.45 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.692 1.597 . . . . 0.0 112.43 -167.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.8 -31.86 81.75 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.027 1.299 . . . . 0.0 114.352 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -70.22 -32.02 69.7 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.27 1.535 . . . . 0.0 112.83 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.55 -40.5 66.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 118.723 0.692 . . . . 0.0 111.924 170.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.6 99.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.274 1.03 . . . . 0.0 112.753 176.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.61 -33.38 64.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.687 0.795 . . . . 0.0 112.716 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -21.26 65.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.97 -15.98 47.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -96.9 -5.29 38.42 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.392 1.477 . . . . 0.0 114.893 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -74.96 110.76 9.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 119.354 0.979 . . . . 0.0 110.275 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.8 p -77.75 -36.81 50.29 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -168.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -107.34 -17.6 14.09 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -168.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.13 14.31 54.67 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.4 p30 -74.86 -7.29 53.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.267 1.533 . . . . 0.0 113.379 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.279 8.6 t30 57.25 36.74 27.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.706 2.402 . . . . 0.0 115.714 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.1 pt -131.89 155.68 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.757 1.623 . . . . 0.0 110.311 160.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.7 mm -100.94 112.35 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -142.82 170.37 15.82 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.709 1.604 . . . . 0.0 111.303 -171.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.87 -15.56 55.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.73 57.54 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 120.044 1.293 . . . . 0.0 113.556 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -67.78 125.89 27.68 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 119.828 1.195 . . . . 0.0 112.131 171.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.71 69.41 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -170.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -17.45 62.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.53 -27.21 66.0 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.451 -1.405 . . . . 0.0 114.165 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -75.6 -24.65 56.56 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.749 -1.22 . . . . 0.0 113.866 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.4 m -88.3 -13.81 39.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.816 1.246 . . . . 0.0 114.021 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.57 144.24 57.35 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 119.591 1.087 . . . . 0.0 111.5 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -141.17 166.0 25.99 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 127.283 2.233 . . . . 0.0 110.128 171.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.44 124.33 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 124.525 1.13 . . . . 0.0 109.125 171.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -95.3 120.93 36.38 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.669 1.187 . . . . 0.0 110.912 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.81 97.7 6.41 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.757 1.623 . . . . 0.0 108.206 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -81.63 114.79 20.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.291 0.567 . . . . 0.0 110.298 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.05 -4.43 41.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.569 1.147 . . . . 0.0 113.463 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -113.49 -13.04 12.85 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.458 1.903 . . . . 0.0 113.106 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 52.13 23.79 2.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.159 1.784 . . . . 0.0 114.268 -159.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -81.02 -29.75 35.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.629 -1.294 . . . . 0.0 113.835 -172.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.69 20.54 47.1 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-O 118.409 -1.217 . . . . 0.0 113.941 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.15 112.07 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.787 1.635 . . . . 0.0 107.07 167.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.7 p -80.53 148.91 30.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.606 1.548 . . . . 0.0 113.708 -172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -128.39 158.25 38.78 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.835 1.654 . . . . 0.0 111.028 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.29 71.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -77.33 -8.79 58.23 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.619 1.968 . . . . 0.0 114.481 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -91.85 -19.46 22.49 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.321 1.448 . . . . 0.0 112.977 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.65 111.02 23.34 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.094 1.358 . . . . 0.0 109.461 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -108.27 157.17 18.58 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.765 2.026 . . . . 0.0 112.443 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 71.3 p -82.83 163.34 21.25 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.29 -39.27 78.42 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.304 0.642 . . . . 0.0 111.81 169.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.46 -29.39 64.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.74 -18.81 56.13 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.619 1.1 . . . . 0.0 113.346 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.2 mt -90.57 -0.07 57.54 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.367 1.467 . . . . 0.0 112.67 168.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.06 23.71 76.97 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.736 1.16 . . . . 0.0 114.414 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.4 mt -81.43 133.99 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 119.441 1.62 . . . . 0.0 110.917 -172.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -108.44 -42.09 4.67 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.436 1.494 . . . . 0.0 112.929 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.7 p -158.23 163.36 37.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 119.115 0.871 . . . . 0.0 112.718 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.66 136.24 54.02 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 125.754 1.622 . . . . 0.0 108.782 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -86.61 142.05 28.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.093 0.957 . . . . 0.0 111.267 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -94.18 -7.58 41.86 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.72 143.42 36.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.397 0.999 . . . . 0.0 111.77 170.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -150.05 169.77 20.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.553 1.141 . . . . 0.0 112.512 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -113.07 138.9 49.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.642 1.977 . . . . 0.0 108.929 164.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.16 124.92 28.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 165.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.55 -26.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 45.94 41.71 8.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.658 1.983 . . . . 0.0 114.969 170.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -75.74 128.31 34.91 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.836 1.654 . . . . 0.0 111.41 -174.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.99 144.21 48.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.67 0.788 . . . . 0.0 110.645 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 68.0 mt -115.75 4.85 14.07 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.02 1.328 . . . . 0.0 113.568 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 73.44 13.99 79.67 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 125.893 1.711 . . . . 0.0 116.649 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -141.61 2.39 1.61 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -174.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.44 31.78 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 125.691 1.615 . . . . 0.0 114.856 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -89.4 154.12 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.345 1.572 . . . . 0.0 112.053 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.5 m -134.16 129.41 35.81 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.39 1.076 . . . . 0.0 110.297 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.97 101.61 13.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.048 0.939 . . . . 0.0 109.453 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.97 -52.38 13.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.954 0.901 . . . . 0.0 112.764 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -133.82 137.3 45.0 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.925 1.69 . . . . 0.0 109.999 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -130.59 138.18 50.01 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.28 1.032 . . . . 0.0 112.581 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.43 -154.35 6.16 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 126.946 2.213 . . . . 0.0 111.324 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.1 m -131.54 161.39 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.953 0.901 . . . . 0.0 113.217 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.38 159.48 30.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.067 1.747 . . . . 0.0 109.838 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.0 m -112.42 132.71 54.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.839 1.256 . . . . 0.0 111.161 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.56 160.42 15.42 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.515 1.526 . . . . 0.0 112.115 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -63.05 -16.35 59.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -77.9 -2.28 35.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 169.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.24 -3.88 86.47 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.244 1.878 . . . . 0.0 115.256 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 18.8 m -85.97 152.5 22.88 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.52 1.528 . . . . 0.0 110.938 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.2 p -111.77 140.45 46.4 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.952 1.301 . . . . 0.0 112.943 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -131.89 161.54 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.361 1.864 . . . . 0.0 110.96 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.3 141.52 33.99 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.394 1.078 . . . . 0.0 113.144 -167.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -145.98 163.65 34.52 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.722 0.809 . . . . 0.0 111.643 167.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.97 178.79 48.91 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 121.223 -0.513 . . . . 0.0 114.258 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.48 121.16 41.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.08 1.352 . . . . 0.0 110.847 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.6 123.67 46.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.369 1.468 . . . . 0.0 111.493 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.2 mt -78.48 125.94 30.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 159.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.323 -0.552 0 C-N-CA 123.511 0.724 . . . . 0.0 111.65 -169.573 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.286 0 CA-C-O 118.876 -0.552 . . . . 0.0 112.387 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.27 127.14 30.04 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 119.183 0.901 . . . . 0.0 112.366 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.43 149.06 52.28 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.875 2.47 . . . . 0.0 111.888 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -119.46 138.63 53.01 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.521 1.928 . . . . 0.0 110.867 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 10' ' ' GLY . 17.7 t0 -81.39 98.86 8.4 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 109.652 166.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.85 -30.8 17.67 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -170.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -96.97 -10.88 25.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.87 44.97 3.74 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 164.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -142.95 17.62 1.95 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' H ' ' CG ' ' A' ' 5' ' ' ASP . . . 110.29 158.61 16.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 126.93 2.205 . . . . 0.0 114.715 176.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -72.79 126.45 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -147.36 158.34 43.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.263 1.025 . . . . 0.0 113.12 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 p -143.33 165.11 28.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 CA--C 1.519 -0.247 0 C-N-CA 126.024 1.73 . . . . 0.0 112.1 172.135 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.0 153.73 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 124.544 1.138 . . . . 0.0 112.631 166.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.84 151.72 10.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.909 -0.494 . . . . 0.0 111.994 166.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.21 66.0 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.129 -0.982 . . . . 0.0 113.178 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -81.53 -2.24 49.13 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -106.98 -170.87 1.78 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.722 2.009 . . . . 0.0 111.145 166.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.82 164.91 37.71 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 115.492 0.957 . . . . 0.0 115.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.78 140.8 35.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.173 1.389 . . . . 0.0 111.033 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.25 128.63 34.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.381 0.672 . . . . 0.0 110.183 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.09 167.35 4.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 124.585 1.154 . . . . 0.0 113.567 -170.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.93 146.22 22.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.207 1.803 . . . . 0.0 111.039 166.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -77.66 130.6 37.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.431 0.692 . . . . 0.0 111.481 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.21 -7.56 18.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.022 1.729 . . . . 0.0 114.783 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.26 10.48 4.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -172.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.08 18.28 78.76 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 116.817 1.487 . . . . 0.0 116.817 170.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -99.83 -1.11 38.35 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.01 -5.22 50.55 Favored Glycine 0 C--O 1.222 -0.596 0 C-N-CA 126.48 1.991 . . . . 0.0 116.965 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 pt -123.03 165.7 18.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 C-N-CA 125.439 1.495 . . . . 0.0 111.609 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.58 120.1 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.686 1.195 . . . . 0.0 109.944 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -151.44 -20.74 0.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -97.94 148.4 23.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.85 1.205 . . . . 0.0 111.232 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.89 -28.98 69.38 Favored Glycine 0 C--N 1.339 0.728 0 O-C-N 120.705 -1.247 . . . . 0.0 115.024 -173.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.97 -8.12 59.17 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.32 -21.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.665 1.186 . . . . 0.0 113.201 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.6 mt -76.72 154.53 34.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.092 1.357 . . . . 0.0 109.611 161.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.4 m-85 -88.76 112.21 22.91 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.452 -1.405 . . . . 0.0 110.906 174.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.24 -165.74 32.97 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.937 1.256 . . . . 0.0 112.279 -175.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -78.55 17.44 0.68 Allowed 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -105.11 -10.89 16.86 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.127 1.371 . . . . 0.0 112.546 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 m -71.95 136.92 47.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.542 1.537 . . . . 0.0 110.352 169.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -88.77 144.65 26.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.611 1.164 . . . . 0.0 111.917 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.74 169.64 17.46 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.842 2.057 . . . . 0.0 109.708 164.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -24.2 66.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.72 -9.58 59.79 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.78 -7.7 63.21 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.79 1.662 . . . . 0.0 116.707 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.9 p -75.55 159.44 31.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 119.362 1.581 . . . . 0.0 112.254 168.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -78.67 148.7 33.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.591 -1.318 . . . . 0.0 112.667 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 151.11 47.45 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.681 1.193 . . . . 0.0 111.977 170.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -69.02 -35.58 76.8 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 177.62 9.31 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.357 1.863 . . . . 0.0 111.566 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.97 90.5 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 125.403 1.478 . . . . 0.0 115.472 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 119.602 1.701 . . . . 0.0 113.372 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.39 -35.45 54.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.813 -1.18 . . . . 0.0 112.402 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.4 84.25 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.757 1.223 . . . . 0.0 113.587 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.95 -33.31 45.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.956 0.902 . . . . 0.0 112.411 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -21.94 66.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -58.52 -18.91 33.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.817 1.247 . . . . 0.0 114.204 171.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.85 -2.18 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.14 118.6 19.05 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 119.936 1.244 . . . . 0.0 110.465 172.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.7 p -89.67 -25.65 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -168.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -111.11 -17.83 13.15 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.39 1.476 . . . . 0.0 113.565 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.56 27.47 38.92 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 118.997 0.817 . . . . 0.0 114.173 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -80.31 -1.04 39.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.345 1.572 . . . . 0.0 113.76 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.41 18.41 5.54 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.057 2.143 . . . . 0.0 114.316 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -130.97 152.57 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 124.721 1.208 . . . . 0.0 112.329 168.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -99.07 114.35 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 C-N-CA 124.682 1.193 . . . . 0.0 108.277 170.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -147.04 172.33 13.91 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.385 1.474 . . . . 0.0 111.446 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 -167.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.01 60.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.8 132.42 35.28 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.921 1.288 . . . . 0.0 111.783 166.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.64 67.39 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -171.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.23 -19.19 51.3 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.38 -44.18 79.93 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 120.232 1.378 . . . . 0.0 114.266 -168.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -78.9 -8.64 59.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 120.75 -1.219 . . . . 0.0 113.557 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -91.04 -25.83 19.48 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.594 1.557 . . . . 0.0 113.143 170.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.0 153.61 29.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.163 0.892 . . . . 0.0 111.253 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -134.24 163.02 30.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.581 1.552 . . . . 0.0 109.265 172.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.3 t -117.83 130.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -105.04 122.43 45.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.05 1.34 . . . . 0.0 110.266 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.86 98.26 6.73 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.151 1.38 . . . . 0.0 108.632 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.38 100.12 7.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.808 0.813 . . . . 0.0 110.043 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.99 -18.1 64.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.52 5.56 18.02 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 170.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 55.46 29.14 12.73 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 127.784 2.434 . . . . 0.0 115.652 169.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -93.74 -16.5 24.15 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 120.936 -1.103 . . . . 0.0 113.571 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.69 17.45 72.99 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.525 1.057 . . . . 0.0 114.309 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.63 129.92 57.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 118.794 1.297 . . . . 0.0 107.532 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -96.73 138.82 33.71 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.224 -0.922 . . . . 0.0 113.249 -164.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -141.2 151.2 43.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.512 1.525 . . . . 0.0 111.008 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -34.08 72.39 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -58.0 -23.58 54.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -94.22 -4.58 48.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.441 1.496 . . . . 0.0 113.127 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -98.87 151.82 20.42 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.323 1.449 . . . . 0.0 112.292 -177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.24 150.55 42.78 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 126.143 1.777 . . . . 0.0 111.39 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -77.51 156.68 30.84 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.886 1.674 . . . . 0.0 111.742 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.32 -36.73 85.07 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 121.582 -0.699 . . . . 0.0 111.925 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.99 -37.25 86.71 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.83 -30.36 70.97 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -87.43 -5.08 58.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.89 24.32 67.18 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.535 1.061 . . . . 0.0 115.102 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.36 128.66 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.745 1.218 . . . . 0.0 109.925 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.6 -47.22 7.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.467 1.507 . . . . 0.0 111.555 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 70.9 p -162.18 164.34 27.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.203 1.001 . . . . 0.0 113.039 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.58 138.06 51.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.517 1.927 . . . . 0.0 110.627 173.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.38 143.64 44.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.155 0.889 . . . . 0.0 112.469 170.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -97.91 -2.72 40.05 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.586 1.154 . . . . 0.0 113.406 162.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.78 139.73 38.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.072 0.949 . . . . 0.0 111.159 167.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -155.22 163.73 39.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.599 1.16 . . . . 0.0 112.824 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.56 140.3 47.43 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.47 2.308 . . . . 0.0 110.486 166.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -75.0 114.36 13.38 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 118.767 0.712 . . . . 0.0 110.284 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.41 -25.52 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 C-N-CA 124.5 1.12 . . . . 0.0 113.589 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.4 m120 48.86 39.65 14.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.517 1.927 . . . . 0.0 115.486 167.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -81.54 115.68 20.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.629 1.172 . . . . 0.0 110.787 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -73.37 121.55 20.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 159.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.14 -9.79 59.0 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 87.73 17.17 58.72 Favored Glycine 0 C--O 1.218 -0.874 0 C-N-CA 125.182 1.373 . . . . 0.0 114.233 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -140.87 7.24 2.05 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.36 1.464 . . . . 0.0 114.768 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.22 -26.15 19.69 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.12 1.819 . . . . 0.0 114.532 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.01 159.9 15.89 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 119.741 1.77 . . . . 0.0 112.367 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.5 m -139.34 134.01 31.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.127 -0.983 . . . . 0.0 111.627 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.7 tp -108.76 107.8 18.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.61 1.164 . . . . 0.0 109.717 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.82 -48.89 8.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.11 146.92 50.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.51 1.524 . . . . 0.0 110.708 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -138.44 135.08 34.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.64 0.776 . . . . 0.0 113.006 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.39 -148.85 5.48 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.909 2.671 . . . . 0.0 110.882 170.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.3 p -141.05 168.06 20.69 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.037 0.922 . . . . 0.0 113.303 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -135.86 159.2 42.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 126.28 1.832 . . . . 0.0 110.765 171.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.5 m -116.14 134.85 54.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -102.14 158.39 16.2 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 111.97 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.1 p -66.3 -25.78 67.01 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -82.75 24.95 0.69 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.836 1.654 . . . . 0.0 114.197 172.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.3 -8.12 54.2 Favored Glycine 0 C--N 1.341 0.852 0 N-CA-C 117.056 1.582 . . . . 0.0 117.056 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 58.8 p -83.36 155.43 23.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 119.952 1.876 . . . . 0.0 112.431 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.9 p -120.31 150.15 41.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.877 0.871 . . . . 0.0 111.481 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.72 162.37 36.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.722 1.209 . . . . 0.0 111.881 -173.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.17 140.15 37.82 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.126 0.97 . . . . 0.0 113.312 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -143.78 159.81 41.85 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.033 0.933 . . . . 0.0 111.206 166.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -173.11 168.17 41.11 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 114.257 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -88.14 104.92 17.14 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.424 1.089 . . . . 0.0 110.65 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -108.76 112.2 24.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.77 2.028 . . . . 0.0 109.035 -170.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.1 mt -81.32 124.12 29.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.978 1.311 . . . . 0.0 109.824 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.45 -0.472 0 C-N-CA 125.694 1.597 . . . . 0.0 109.855 -166.398 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.472 0.21 0 N-CA-C 112.653 0.213 . . . . 0.0 112.653 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.38 122.1 15.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.79 150.86 38.44 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.102 2.161 . . . . 0.0 111.158 170.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.88 138.94 51.18 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.533 1.533 . . . . 0.0 110.203 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -79.07 107.11 11.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.001 0.92 . . . . 0.0 109.555 168.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.73 -24.11 31.31 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -113.91 -8.32 13.13 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.56 40.8 4.94 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 120.256 1.389 . . . . 0.0 115.333 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -136.3 23.39 3.23 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.976 1.388 . . . . 0.0 114.409 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.4 171.68 48.36 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.504 2.002 . . . . 0.0 113.165 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -91.91 118.89 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 118.517 1.159 . . . . 0.0 109.391 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -88.5 140.28 29.62 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.331 1.052 . . . . 0.0 111.993 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.9 p -126.08 152.71 45.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.802 1.241 . . . . 0.0 112.323 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.444 -0.762 0 C-N-CA 127.339 2.256 . . . . 0.0 111.106 -173.202 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.718 0.771 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.41 135.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.376 1.07 . . . . 0.0 110.442 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.5 t -62.29 156.28 22.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.864 1.266 . . . . 0.0 112.146 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.54 -10.49 18.32 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.981 0.913 . . . . 0.0 113.402 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.32 -24.5 67.88 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.185 1.794 . . . . 0.0 113.653 168.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -137.98 -172.51 3.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.985 2.514 . . . . 0.0 111.969 -172.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.91 161.49 32.41 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.4 140.02 32.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.195 1.798 . . . . 0.0 111.356 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -77.47 128.89 34.97 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.654 1.182 . . . . 0.0 110.545 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.5 m -147.62 167.96 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 124.882 1.273 . . . . 0.0 112.633 -170.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -159.43 135.15 8.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.991 1.316 . . . . 0.0 111.137 163.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -71.22 130.81 42.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.936 1.295 . . . . 0.0 112.176 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.54 -4.84 20.74 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 126.033 1.733 . . . . 0.0 115.149 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -137.93 20.29 2.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.12 12.99 61.39 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 118.418 -1.212 . . . . 0.0 116.067 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -85.97 1.69 49.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.151 1.475 . . . . 0.0 113.8 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.77 -1.94 87.94 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 126.187 1.851 . . . . 0.0 116.186 170.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -140.96 161.15 23.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 124.856 1.262 . . . . 0.0 112.711 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mm -92.84 107.73 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 125.377 1.471 . . . . 0.0 108.286 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -151.5 -2.01 0.32 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.88 16.41 25.21 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 121.329 1.877 . . . . 0.0 115.066 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.05 -37.8 1.75 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 126.32 1.914 . . . . 0.0 116.882 165.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.86 5.75 50.66 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.412 1.885 . . . . 0.0 114.151 172.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.11 -3.28 54.45 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.932 1.293 . . . . 0.0 114.313 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.2 pt? -125.84 149.85 48.31 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 128.173 2.589 . . . . 0.0 110.176 171.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 97.3 m-85 -84.96 110.94 19.25 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.244 1.018 . . . . 0.0 113.263 -161.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.24 -158.53 20.01 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.763 1.173 . . . . 0.0 113.074 -174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.53 -16.66 61.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -87.32 -2.16 58.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.992 -1.067 . . . . 0.0 112.867 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.3 m -85.41 137.3 33.02 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 125.297 1.439 . . . . 0.0 110.89 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.77 152.0 23.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.908 0.883 . . . . 0.0 113.32 171.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.2 mt -92.62 174.85 7.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.446 2.299 . . . . 0.0 111.036 171.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.37 67.26 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -89.14 -5.58 57.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.816 1.189 . . . . 0.0 113.967 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.47 60.44 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 126.646 2.07 . . . . 0.0 115.969 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -65.72 152.63 43.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.097 1.449 . . . . 0.0 111.318 170.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -78.29 144.64 35.95 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 120.011 1.278 . . . . 0.0 112.212 173.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.71 150.24 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 111.28 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.57 -46.25 73.23 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.662 -0.649 . . . . 0.0 112.327 173.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.548 ' CG ' HE22 ' A' ' 149' ' ' GLN . 14.7 p80 -157.6 170.12 23.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.81 1.244 . . . . 0.0 112.304 -164.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.02 74.37 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 115.555 0.982 . . . . 0.0 115.555 -173.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -70.11 -44.79 68.25 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 118.011 0.906 . . . . 0.0 112.461 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.89 85.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.176 0.59 . . . . 0.0 111.915 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.39 98.74 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 124.238 1.015 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -77.67 -35.5 52.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.911 -1.118 . . . . 0.0 113.132 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.49 -16.42 55.49 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -60.95 -22.15 64.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.202 1.401 . . . . 0.0 114.041 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 mt -94.91 -0.7 53.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -76.76 120.34 21.78 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.895 0.855 . . . . 0.0 111.652 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 m -66.65 -37.69 85.33 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.756 1.223 . . . . 0.0 113.588 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -112.85 -16.54 12.71 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.78 45.44 17.05 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 119.461 1.028 . . . . 0.0 112.645 -171.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -111.17 9.6 21.87 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 126.058 1.743 . . . . 0.0 113.392 -171.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 68.65 15.29 9.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.101 2.16 . . . . 0.0 115.856 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.4 pt -135.59 151.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.2 mm -106.3 116.91 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 C-N-CA 124.74 1.216 . . . . 0.0 108.116 159.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -144.33 -172.81 3.86 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.974 1.31 . . . . 0.0 111.352 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.79 -13.11 3.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.8 -27.81 58.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 120.828 1.649 . . . . 0.0 113.753 169.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.66 136.08 36.72 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.28 1.032 . . . . 0.0 111.993 175.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.86 88.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.764 -1.21 . . . . 0.0 112.155 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.334 1.054 . . . . 0.0 113.75 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.25 -28.97 56.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 120.042 1.292 . . . . 0.0 113.066 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -81.7 -27.38 33.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.1 p -103.43 -15.9 15.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.565 1.546 . . . . 0.0 114.625 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.21 146.82 52.57 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.089 1.356 . . . . 0.0 111.74 171.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -137.42 169.1 18.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.535 1.934 . . . . 0.0 110.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.0 t -122.99 132.56 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 125.048 1.339 . . . . 0.0 109.252 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -107.13 126.89 52.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.931 1.292 . . . . 0.0 111.64 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -115.1 103.83 11.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.406 1.483 . . . . 0.0 109.267 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -75.87 82.09 2.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.954 0.797 . . . . 0.0 111.263 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -24.01 63.09 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -161.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -112.13 -7.26 14.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.22 1.808 . . . . 0.0 113.834 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.273 21.4 mp0 47.41 60.37 3.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.463 1.905 . . . . 0.0 114.441 -168.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -92.95 -10.17 37.36 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.536 1.134 . . . . 0.0 113.143 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.76 17.84 76.99 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 124.907 1.241 . . . . 0.0 115.114 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.12 129.2 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.477 1.911 . . . . 0.0 108.308 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -85.02 135.33 34.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.139 0.976 . . . . 0.0 111.181 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -125.32 147.8 48.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.832 1.653 . . . . 0.0 108.936 169.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.46 -30.24 68.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -56.14 -30.1 61.67 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.879 1.672 . . . . 0.0 113.392 171.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -88.05 -3.29 58.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.999 1.32 . . . . 0.0 114.327 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.16 150.86 21.2 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 124.501 1.12 . . . . 0.0 110.954 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -136.43 150.3 48.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.822 2.049 . . . . 0.0 110.798 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.1 p -72.18 160.82 31.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.513 1.525 . . . . 0.0 111.702 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.75 -34.74 76.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.354 -0.842 . . . . 0.0 111.124 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.51 -41.98 88.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -175.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -75.54 -18.35 59.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.4 6.32 27.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.74 1.216 . . . . 0.0 112.505 167.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 63.71 23.58 67.29 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 123.989 0.804 . . . . 0.0 114.077 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.81 134.72 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 118.688 1.244 . . . . 0.0 109.191 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -106.17 -47.83 3.73 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.272 1.429 . . . . 0.0 111.734 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.0 p -155.26 154.26 31.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.993 -1.067 . . . . 0.0 112.341 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.76 134.49 53.29 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.989 1.315 . . . . 0.0 108.938 166.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -83.3 146.84 28.3 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 171.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.92 -2.71 31.21 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.308 1.043 . . . . 0.0 113.76 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.42 138.47 35.56 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.763 1.225 . . . . 0.0 111.909 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -150.11 163.71 37.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.221 1.008 . . . . 0.0 112.48 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -123.13 143.01 50.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.898 1.679 . . . . 0.0 110.73 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.21 121.61 18.69 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.965 164.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.25 -21.95 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 C-N-CA 125.365 1.466 . . . . 0.0 114.484 -175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.8 m120 49.08 36.76 9.3 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 126.184 1.793 . . . . 0.0 115.43 169.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -79.02 139.05 38.27 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.516 1.127 . . . . 0.0 112.099 -172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.44 128.61 34.79 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.985 0.514 . . . . 0.0 109.879 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.98 -27.74 13.73 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 117.03 156.68 10.59 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 125.253 1.406 . . . . 0.0 112.026 -166.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.8 m120 54.29 24.87 5.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.794 2.037 . . . . 0.0 113.438 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.79 20.05 73.92 Favored Glycine 0 CA--C 1.528 0.871 0 O-C-N 120.912 -1.117 . . . . 0.0 115.277 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -91.16 124.95 35.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 117.941 0.87 . . . . 0.0 109.819 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -103.84 134.14 47.63 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.033 0.933 . . . . 0.0 110.699 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.07 94.07 9.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.767 1.227 . . . . 0.0 107.955 165.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.56 67.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 123.226 0.61 . . . . 0.0 112.147 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.548 HE22 ' CG ' ' A' ' 76' ' ' HIS . 29.5 mt-30 -133.76 138.88 46.0 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.747 1.619 . . . . 0.0 110.48 -173.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -131.64 145.68 51.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.89 1.276 . . . . 0.0 113.249 -169.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.81 -157.04 8.29 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 126.854 2.169 . . . . 0.0 112.558 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 m -133.6 162.64 31.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.751 1.62 . . . . 0.0 114.135 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -137.33 157.75 45.94 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.455 1.902 . . . . 0.0 111.005 169.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.5 m -110.61 140.65 44.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.807 1.643 . . . . 0.0 111.567 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -102.57 159.74 15.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.383 1.873 . . . . 0.0 112.897 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.2 p -66.58 -19.36 65.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.502 1.521 . . . . 0.0 113.938 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -78.35 0.93 23.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.204 1.402 . . . . 0.0 114.444 169.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.04 -5.33 84.38 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.745 1.641 . . . . 0.0 115.237 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 31.1 p -77.55 165.72 23.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 119.534 1.667 . . . . 0.0 112.177 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 60.0 p -127.22 153.53 45.98 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.15 0.98 . . . . 0.0 111.403 173.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.92 164.7 31.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.026 0.931 . . . . 0.0 110.88 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -75.59 153.93 37.03 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 122.612 1.196 . . . . 0.0 113.242 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.1 ptm -147.71 166.57 27.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.945 1.298 . . . . 0.0 109.831 166.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.19 172.61 41.93 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 121.369 -0.832 . . . . 0.0 114.795 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -82.38 105.85 13.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.203 1.001 . . . . 0.0 109.922 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.2 123.6 48.29 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.895 2.078 . . . . 0.0 109.584 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.87 134.13 35.1 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 112.342 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.445 -0.693 0 C-N-CA 126.725 2.01 . . . . 0.0 114.632 -163.609 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 8.7 Cg_exo . . . . . 0 CA--C 1.517 -0.352 0 N-CA-C 112.514 0.159 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.89 125.85 27.23 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 121.505 -0.747 . . . . 0.0 112.637 -174.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.19 144.26 49.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 127.634 2.374 . . . . 0.0 110.756 174.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -116.23 138.3 51.41 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.047 1.739 . . . . 0.0 110.967 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -79.22 114.02 17.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.801 1.24 . . . . 0.0 110.349 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.87 -27.33 22.27 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -168.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -110.91 -5.83 14.81 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.26 33.56 11.7 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-O 118.37 -1.239 . . . . 0.0 115.246 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -123.54 16.9 9.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 120.29 2.045 . . . . 0.0 114.75 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.4 158.07 28.91 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 125.896 1.713 . . . . 0.0 113.501 -172.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.76 122.24 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 124.148 0.979 . . . . 0.0 108.584 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -100.61 149.56 23.62 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.964 1.306 . . . . 0.0 111.886 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 p -134.89 166.92 21.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.121 1.368 . . . . 0.0 112.221 -173.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.441 -0.887 0 C-N-CA 125.762 1.625 . . . . 0.0 109.63 169.149 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 122.248 1.023 . . . . 0.0 113.29 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.95 141.5 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.742 1.217 . . . . 0.0 109.913 165.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -60.97 153.8 24.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.072 -1.017 . . . . 0.0 112.073 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.81 16.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 169.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.88 -31.67 72.75 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.799 1.24 . . . . 0.0 113.071 172.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -122.05 -170.65 2.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.012 2.125 . . . . 0.0 111.673 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.66 161.51 32.3 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 115.836 1.094 . . . . 0.0 115.836 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.44 138.04 31.89 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.891 1.676 . . . . 0.0 111.304 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.57 129.08 37.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.859 0.864 . . . . 0.0 110.157 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -143.8 167.63 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 124.572 1.149 . . . . 0.0 112.909 -174.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -145.76 130.91 18.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 126.622 1.969 . . . . 0.0 111.218 171.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -79.74 115.04 19.11 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.31 0.644 . . . . 0.0 111.596 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -89.94 -0.31 57.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 114.823 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -139.3 3.08 2.12 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 17.44 77.05 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -83.76 -3.78 58.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 118.956 1.378 . . . . 0.0 114.589 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.8 4.96 90.31 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-O 118.069 -1.406 . . . . 0.0 115.634 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.1 pt -132.44 164.23 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 125.833 1.653 . . . . 0.0 112.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -97.8 119.71 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 124.65 1.18 . . . . 0.0 109.524 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -132.24 -1.67 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -172.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.23 150.27 35.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.622 1.169 . . . . 0.0 112.086 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.26 -18.45 49.43 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.787 1.184 . . . . 0.0 114.776 175.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -19.21 65.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.996 1.719 . . . . 0.0 114.727 170.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -93.85 -10.55 33.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.964 1.705 . . . . 0.0 113.177 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.95 165.12 22.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.11 1.764 . . . . 0.0 110.609 164.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 59.8 m-85 -100.12 105.23 16.83 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.618 -0.676 . . . . 0.0 110.159 163.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.28 -162.61 27.38 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 125.377 1.465 . . . . 0.0 113.697 -169.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -75.48 10.83 1.47 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -124.38 2.89 8.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.562 1.545 . . . . 0.0 113.571 170.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -76.07 152.04 36.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 120.459 -1.401 . . . . 0.0 111.204 167.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -94.66 161.22 14.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.36 179.21 4.33 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 128.876 2.87 . . . . 0.0 110.609 174.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.66 -29.39 69.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -89.26 7.89 33.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 119.278 0.944 . . . . 0.0 112.79 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.84 86.65 Favored Glycine 0 N--CA 1.443 -0.892 0 O-C-N 120.622 -1.299 . . . . 0.0 115.704 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.97 150.05 48.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 119.385 1.592 . . . . 0.0 110.309 167.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -78.71 142.88 36.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.489 -0.757 . . . . 0.0 110.401 171.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.52 149.97 47.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.76 0.824 . . . . 0.0 112.006 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -81.97 -26.94 33.51 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -154.06 167.38 30.01 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.258 1.423 . . . . 0.0 112.415 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.36 -29.52 74.31 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.234 -0.916 . . . . 0.0 115.355 -168.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -74.61 -37.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 118.703 1.252 . . . . 0.0 112.012 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.08 82.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.81 0.732 . . . . 0.0 112.514 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.43 97.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.428 1.091 . . . . 0.0 112.899 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.6 tp -76.25 -37.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.88 -19.61 65.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -172.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.73 -23.38 66.73 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.307 1.443 . . . . 0.0 113.466 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.6 mt -85.29 -3.05 58.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -174.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -68.15 119.51 12.85 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 121.068 -1.02 . . . . 0.0 110.203 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.0 p -81.09 -37.08 29.56 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.764 1.226 . . . . 0.0 114.1 -171.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -110.54 -21.11 12.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.05 1.74 . . . . 0.0 113.691 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.39 67.42 1.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 O-C-N 121.331 -0.856 . . . . 0.0 112.464 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -122.53 -2.14 8.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.65 1.58 . . . . 0.0 113.437 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.16 25.03 10.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.869 2.068 . . . . 0.0 114.998 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -132.47 147.14 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 124.785 1.234 . . . . 0.0 111.158 166.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm -98.16 110.51 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -142.48 169.66 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 126.623 1.969 . . . . 0.0 110.89 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.71 -16.1 24.62 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -166.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.36 -21.65 49.13 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.81 1.186 . . . . 0.0 114.108 171.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.98 125.58 27.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 120.159 1.345 . . . . 0.0 111.334 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.07 73.48 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.28 -18.04 62.44 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.47 -34.7 62.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 119.188 0.904 . . . . 0.0 112.366 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.65 -20.42 65.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.702 1.201 . . . . 0.0 113.746 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 m -98.84 -6.21 29.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.118 1.367 . . . . 0.0 114.09 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.38 136.63 44.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.804 -1.185 . . . . 0.0 111.427 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -139.24 171.9 13.61 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.049 1.739 . . . . 0.0 110.56 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -118.89 131.8 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 124.034 0.934 . . . . 0.0 110.141 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -100.55 120.8 40.57 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.366 1.467 . . . . 0.0 110.451 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -112.97 98.35 7.12 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.628 1.171 . . . . 0.0 108.581 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -73.29 112.96 9.84 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.969 0.804 . . . . 0.0 109.742 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.4 mt -80.18 -7.08 58.78 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -170.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -114.36 -10.9 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 52.65 54.07 11.18 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.061 1.745 . . . . 0.0 112.766 -170.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -108.74 -15.56 14.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.686 1.194 . . . . 0.0 112.836 171.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.15 78.89 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 120.881 -1.137 . . . . 0.0 112.887 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.78 112.72 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 126.147 1.779 . . . . 0.0 106.394 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.16 146.36 27.15 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.058 -1.027 . . . . 0.0 113.23 -167.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -132.19 151.47 51.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.123 1.769 . . . . 0.0 109.171 169.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.56 71.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.497 -1.377 . . . . 0.0 114.067 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -63.01 -19.71 64.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.34 -10.16 59.19 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.079 1.352 . . . . 0.0 113.046 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.78 142.15 29.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.503 0.721 . . . . 0.0 111.592 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -137.03 150.63 48.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.771 2.028 . . . . 0.0 111.244 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.2 p -77.59 164.95 24.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.787 1.235 . . . . 0.0 112.167 174.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.48 -48.07 68.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.155 -0.966 . . . . 0.0 112.312 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.49 -33.63 74.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.69 0.796 . . . . 0.0 113.035 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.73 -20.64 63.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 119.499 1.045 . . . . 0.0 113.279 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.8 mt -97.58 2.85 50.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.433 1.893 . . . . 0.0 113.493 171.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.91 17.6 80.18 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 124.825 1.202 . . . . 0.0 115.674 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 33.6 mt -84.25 137.49 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 119.497 1.649 . . . . 0.0 109.777 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -127.01 -42.01 1.76 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 p -159.48 154.77 25.37 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 120.5 1.5 . . . . 0.0 112.084 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -109.47 133.36 53.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.574 1.149 . . . . 0.0 111.427 -174.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -93.14 118.58 31.38 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.829 1.252 . . . . 0.0 111.589 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.67 28.87 0.74 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -106.01 115.14 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.814 1.646 . . . . 0.0 109.753 167.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.98 147.59 34.12 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.864 1.266 . . . . 0.0 112.846 -168.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -111.89 135.22 52.81 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.679 1.992 . . . . 0.0 110.573 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.51 126.28 29.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.454 1.502 . . . . 0.0 110.739 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.42 -30.41 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 -172.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 44.22 50.14 7.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.886 2.075 . . . . 0.0 115.684 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -89.12 143.94 26.49 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.265 1.826 . . . . 0.0 112.793 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.0 138.55 38.88 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.572 -0.705 . . . . 0.0 111.034 161.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 81.1 mt -119.07 -4.81 10.55 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.657 1.583 . . . . 0.0 114.24 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 158.55 178.37 32.51 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 111.838 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -65.74 110.35 2.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 117.98 0.89 . . . . 0.0 110.427 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.75 7.78 88.06 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.42 124.16 49.97 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 120.08 1.94 . . . . 0.0 111.68 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -132.81 136.06 46.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.226 1.01 . . . . 0.0 110.64 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.25 105.95 15.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.488 1.515 . . . . 0.0 109.351 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.43 -47.59 26.62 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.904 0.882 . . . . 0.0 112.317 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -138.41 154.42 48.9 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.398 1.479 . . . . 0.0 111.175 -174.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -143.18 144.19 32.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -161.94 -151.73 6.43 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 126.945 2.212 . . . . 0.0 112.716 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 30.8 m -141.36 171.14 14.48 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.941 1.696 . . . . 0.0 112.611 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -135.36 160.35 38.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.273 1.829 . . . . 0.0 111.566 170.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 54.7 m -94.68 136.24 35.21 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 125.69 1.596 . . . . 0.0 111.202 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -95.96 156.18 16.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 126.407 1.883 . . . . 0.0 112.948 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.9 p -61.51 -22.76 65.41 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.164 1.386 . . . . 0.0 113.906 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -88.54 8.4 28.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.85 0.86 90.48 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 116.767 1.467 . . . . 0.0 116.767 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.4 p -90.64 -179.59 5.58 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 118.642 1.221 . . . . 0.0 112.301 172.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 77.1 p -122.79 159.54 27.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.519 1.128 . . . . 0.0 111.952 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.64 163.96 33.23 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.558 1.543 . . . . 0.0 110.692 170.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.57 154.96 36.44 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -150.81 168.68 23.7 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.06 1.344 . . . . 0.0 111.591 167.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.0 171.19 43.67 Favored Glycine 0 N--CA 1.446 -0.663 0 O-C-N 121.255 -0.903 . . . . 0.0 115.154 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -89.92 104.66 17.2 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 125.866 1.666 . . . . 0.0 109.638 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.8 tt -115.73 124.63 51.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 110.151 -169.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 31.1 mt -81.24 135.41 35.73 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.079 1.352 . . . . 0.0 112.008 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.45 -0.446 0 C-N-CA 125.82 1.648 . . . . 0.0 111.316 -169.672 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 112.699 0.23 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.23 121.34 13.46 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.179 0.991 . . . . 0.0 112.831 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.0 148.51 32.39 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.724 2.41 . . . . 0.0 111.659 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -119.42 134.75 55.07 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.154 1.782 . . . . 0.0 109.721 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.16 106.1 10.96 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 125.652 1.581 . . . . 0.0 109.541 167.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.1 -31.62 19.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.808 -1.183 . . . . 0.0 113.077 -166.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -98.02 -2.42 40.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.95 1.3 . . . . 0.0 114.349 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.16 43.69 7.4 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 115.874 1.11 . . . . 0.0 115.874 164.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -138.19 13.75 2.83 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.23 149.18 19.72 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 126.763 2.125 . . . . 0.0 113.117 -176.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.71 123.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.023 0.929 . . . . 0.0 109.286 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -108.24 152.85 24.04 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 112.821 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 p -135.44 157.99 45.51 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.246 1.418 . . . . 0.0 112.422 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 CA--C 1.515 -0.384 0 C-N-CA 125.515 1.526 . . . . 0.0 111.866 178.65 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 121.613 0.72 . . . . 0.0 112.837 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.7 133.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.976 1.31 . . . . 0.0 111.235 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -59.65 156.33 13.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.745 1.618 . . . . 0.0 114.034 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -16.14 64.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -80.46 -18.81 47.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.265 1.426 . . . . 0.0 113.272 172.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -116.86 -178.82 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 111.87 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.99 175.88 37.62 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 116.208 1.243 . . . . 0.0 116.208 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.0 140.16 48.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.879 2.072 . . . . 0.0 112.135 -177.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 tp -80.77 129.36 34.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.93 0.892 . . . . 0.0 111.281 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -145.91 168.52 7.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 124.932 1.293 . . . . 0.0 112.761 -172.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -154.07 127.11 8.34 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.579 1.551 . . . . 0.0 111.358 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -76.7 116.45 17.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.058 0.543 . . . . 0.0 110.359 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.98 2.7 46.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.951 1.701 . . . . 0.0 113.83 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.92 -5.28 3.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.92 9.23 86.54 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -73.84 -5.08 38.78 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 120.21 2.005 . . . . 0.0 114.886 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.05 -6.87 72.93 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 126.305 1.907 . . . . 0.0 115.101 176.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 pt -132.2 167.16 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.807 1.643 . . . . 0.0 113.37 -173.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.2 mm -104.83 98.52 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.532 2.333 . . . . 0.0 109.092 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -133.88 -20.18 1.99 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -168.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -98.41 149.56 22.54 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 126.146 1.778 . . . . 0.0 111.74 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.02 -21.61 63.87 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 116.159 1.223 . . . . 0.0 116.159 -172.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.53 -9.28 59.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.751 1.22 . . . . 0.0 114.267 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -86.78 -4.25 59.15 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.795 1.238 . . . . 0.0 114.128 -170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.16 152.67 26.77 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.897 1.679 . . . . 0.0 109.385 164.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.35 106.98 18.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.689 -0.632 . . . . 0.0 111.415 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.09 -177.11 43.01 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.434 1.492 . . . . 0.0 111.726 -173.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -63.96 -10.85 23.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -169.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.47 -3.74 48.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.779 -1.826 . . . . 0.0 113.779 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -78.13 145.92 35.43 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.79 1.636 . . . . 0.0 111.811 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -99.43 140.88 32.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.153 1.381 . . . . 0.0 112.413 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.05 169.22 10.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.482 2.313 . . . . 0.0 111.567 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.3 66.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -170.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -84.69 5.16 29.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 120.085 1.311 . . . . 0.0 114.099 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.89 -3.29 82.83 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 125.862 1.696 . . . . 0.0 115.17 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -68.35 152.02 46.04 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.07 1.435 . . . . 0.0 111.4 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.83 144.97 28.09 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.452 -0.78 . . . . 0.0 112.172 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.48 142.64 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.562 1.145 . . . . 0.0 111.121 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -81.92 -25.34 35.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.55 170.4 22.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.435 1.894 . . . . 0.0 111.905 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.51 -24.75 66.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.273 0.939 . . . . 0.0 115.243 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.4 -46.6 66.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 119.005 1.403 . . . . 0.0 112.25 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.09 76.28 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 123.225 0.61 . . . . 0.0 112.567 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.72 96.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.907 0.883 . . . . 0.0 113.14 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 tp -76.67 -35.89 57.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.776 1.231 . . . . 0.0 113.12 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.56 65.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -61.38 -16.47 46.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.703 1.201 . . . . 0.0 113.694 172.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -95.91 -0.3 51.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -72.32 119.08 16.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 119.963 1.256 . . . . 0.0 109.731 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 m -88.64 -27.21 21.44 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -170.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -112.4 -10.37 13.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.34 18.07 59.57 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -79.41 -0.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 119.185 1.493 . . . . 0.0 113.968 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.268 27.8 t30 68.71 20.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.797 2.039 . . . . 0.0 115.723 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.87 150.63 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 C-N-CA 124.965 1.306 . . . . 0.0 111.971 168.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.1 113.44 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 124.748 1.219 . . . . 0.0 108.449 170.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -145.39 171.89 13.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.575 1.55 . . . . 0.0 111.43 -174.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.97 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -20.03 59.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.796 1.18 . . . . 0.0 113.997 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -72.81 142.3 48.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 120.222 1.374 . . . . 0.0 112.867 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.8 91.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -165.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.4 -17.62 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -53.9 -44.72 70.74 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -160.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -70.2 -19.42 63.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m -89.79 -12.21 39.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.708 1.603 . . . . 0.0 113.342 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.01 152.57 45.55 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 124.237 1.015 . . . . 0.0 111.413 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -140.63 165.66 26.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.817 1.647 . . . . 0.0 110.836 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.72 131.14 70.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.974 1.31 . . . . 0.0 108.811 169.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -100.87 123.55 45.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.644 1.578 . . . . 0.0 110.818 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -117.54 98.57 6.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.698 1.199 . . . . 0.0 108.284 169.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.25 118.73 15.5 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 122.047 -0.408 . . . . 0.0 110.484 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.51 -9.89 59.6 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -170.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -111.57 -3.73 15.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.392 1.477 . . . . 0.0 111.812 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 53.03 37.78 25.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.574 1.55 . . . . 0.0 112.732 -174.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -108.14 0.83 21.82 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.77 26.02 73.04 Favored Glycine 0 C--O 1.227 -0.319 0 O-C-N 120.929 -1.107 . . . . 0.0 114.975 169.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.8 mt -126.96 115.89 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.2 p -86.01 150.53 24.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -163.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -131.3 155.49 47.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.174 168.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.47 67.16 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -74.93 -10.26 59.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.17 -4.92 45.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.985 1.714 . . . . 0.0 113.695 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -97.2 149.82 21.59 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.539 1.136 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -138.45 152.88 48.72 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 127.854 2.461 . . . . 0.0 111.448 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.5 p -75.12 163.76 27.22 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 124.293 1.037 . . . . 0.0 111.979 169.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.73 -35.86 70.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.004 -1.06 . . . . 0.0 111.227 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.84 -38.14 82.8 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -73.44 -11.65 60.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.02 4.52 42.46 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 113.118 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.74 20.0 78.38 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 124.889 1.233 . . . . 0.0 115.045 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.6 mt -79.69 128.58 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 120.017 1.909 . . . . 0.0 109.799 -174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -96.6 -50.76 4.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.067 1.347 . . . . 0.0 112.365 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.9 p -160.32 157.52 28.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.59 -0.694 . . . . 0.0 112.859 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.35 133.13 53.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.686 1.194 . . . . 0.0 109.246 172.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -86.65 126.91 34.85 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.014 1.326 . . . . 0.0 110.518 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.28 -2.89 54.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.86 129.52 34.84 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.884 1.22 . . . . 0.0 112.091 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -138.27 166.4 24.28 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 125.396 1.478 . . . . 0.0 113.183 -170.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -134.48 145.62 48.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.306 1.842 . . . . 0.0 111.491 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.53 137.18 37.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.263 0.625 . . . . 0.0 111.265 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.5 m -129.59 -38.61 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 124.35 1.06 . . . . 0.0 113.182 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 46.01 48.39 12.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.507 1.523 . . . . 0.0 112.952 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -102.36 125.48 49.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.213 2.605 . . . . 0.0 112.266 -162.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.93 121.79 19.69 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.221 1.009 . . . . 0.0 111.348 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.37 -1.89 52.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.336 1.454 . . . . 0.0 113.7 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.75 174.21 35.93 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 124.688 1.137 . . . . 0.0 113.026 -167.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . 0.261 0.6 OUTLIER 50.1 18.05 0.36 Allowed 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.49 2.316 . . . . 0.0 116.222 -177.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.17 5.0 70.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.621 1.582 . . . . 0.0 116.33 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -97.32 153.82 17.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.499 2.149 . . . . 0.0 112.044 172.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.2 m -141.49 142.89 33.59 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.439 1.496 . . . . 0.0 110.211 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 16.2 tp -100.39 123.29 44.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.156 1.382 . . . . 0.0 109.825 172.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.35 -56.64 3.23 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.603 0.638 . . . . 0.0 112.482 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -128.11 142.94 51.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 126.54 1.936 . . . . 0.0 108.805 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -130.32 150.93 51.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.02 1.328 . . . . 0.0 112.461 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.83 -152.82 6.42 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 128.048 2.737 . . . . 0.0 110.569 170.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.5 p -136.35 161.49 35.66 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -121.84 155.59 35.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.796 1.638 . . . . 0.0 110.41 169.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 99.1 m -104.6 139.91 38.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.561 1.544 . . . . 0.0 111.191 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.97 158.55 15.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.243 2.217 . . . . 0.0 111.876 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.3 p -69.19 -15.61 63.43 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -80.22 0.07 34.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 166.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.82 -11.09 71.6 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 126.286 1.898 . . . . 0.0 115.489 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 39.8 p -79.43 171.26 15.41 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.253 1.527 . . . . 0.0 112.913 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 33.0 p -130.35 155.44 46.36 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.521 1.128 . . . . 0.0 113.428 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.65 165.46 27.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.31 1.844 . . . . 0.0 111.051 169.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -72.91 153.01 41.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 120.849 -1.157 . . . . 0.0 114.114 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.9 ptm -145.88 161.11 40.76 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.527 1.531 . . . . 0.0 109.979 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.05 168.32 40.11 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 121.561 -0.712 . . . . 0.0 114.477 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -83.01 111.07 18.52 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 123.868 0.867 . . . . 0.0 109.65 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.1 tt -112.1 126.82 55.59 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.148 1.779 . . . . 0.0 110.842 -170.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.7 mt -83.21 119.36 24.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.523 1.129 . . . . 0.0 111.107 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 N--CA 1.447 -0.579 0 C-N-CA 126.379 1.872 . . . . 0.0 111.14 -173.483 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.5 Cg_exo . . . . . 0 N--CA 1.473 0.273 0 N-CA-C 113.216 0.429 . . . . 0.0 113.216 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.77 120.7 15.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.85 145.29 43.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.504 2.322 . . . . 0.0 112.233 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mp -119.91 136.88 54.34 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.107 1.763 . . . . 0.0 111.576 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.03 112.98 21.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.633 1.173 . . . . 0.0 110.291 174.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.7 mt -90.12 -35.4 15.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -111.52 17.53 19.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.535 1.934 . . . . 0.0 114.794 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.46 -4.24 69.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 163.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -99.66 18.74 17.32 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.794 2.038 . . . . 0.0 113.713 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.35 164.1 39.93 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 125.757 1.646 . . . . 0.0 113.369 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.98 120.0 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 O-C-N 121.627 -0.925 . . . . 0.0 109.575 -176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -102.12 150.35 23.35 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.982 1.713 . . . . 0.0 112.317 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.6 p -132.32 160.87 34.99 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.594 1.558 . . . . 0.0 113.404 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.447 -0.587 0 C-N-CA 126.016 1.726 . . . . 0.0 111.665 -173.716 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -73.8 134.32 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 124.592 1.157 . . . . 0.0 110.522 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 t -63.21 156.18 26.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.863 1.265 . . . . 0.0 112.23 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -11.29 19.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.9 -35.06 75.68 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 166.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -127.11 -176.79 3.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 128.891 2.876 . . . . 0.0 111.205 -167.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.86 169.17 34.04 Favored Glycine 0 C--N 1.339 0.717 0 O-C-N 121.005 -1.059 . . . . 0.0 115.111 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -102.66 141.32 35.67 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.702 1.601 . . . . 0.0 111.511 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.7 129.28 35.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.012 0.925 . . . . 0.0 111.504 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.37 163.97 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 124.968 1.307 . . . . 0.0 112.778 -170.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -154.89 120.81 5.17 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.848 1.659 . . . . 0.0 110.005 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.64 117.66 20.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.12 -21.6 64.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.496 -0.753 . . . . 0.0 112.065 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -94.2 -8.51 39.1 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.92 14.18 72.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -84.42 -20.07 32.45 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 119.683 1.742 . . . . 0.0 112.874 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.13 23.25 35.4 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.804 1.193 . . . . 0.0 113.99 -169.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.46 118.78 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.908 1.283 . . . . 0.0 110.669 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.6 mm -98.52 111.32 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 127.472 2.309 . . . . 0.0 108.216 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -144.09 -9.91 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -114.04 153.21 29.8 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.66 1.184 . . . . 0.0 111.394 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.35 -17.96 62.49 Favored Glycine 0 C--N 1.342 0.886 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.41 -11.57 60.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.164 -1.198 . . . . 0.0 113.916 168.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -105.38 -7.2 18.94 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.405 1.482 . . . . 0.0 113.78 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 tp -131.41 111.15 11.57 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.159 2.183 . . . . 0.0 108.788 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 95.7 m-85 -66.1 112.75 4.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.306 0.642 . . . . 0.0 112.509 -167.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.32 -167.79 36.73 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 126.144 1.83 . . . . 0.0 112.485 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -72.2 9.71 0.93 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.48 -2.32 17.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.106 -1.621 . . . . 0.0 113.475 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -79.19 150.4 31.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.305 1.442 . . . . 0.0 111.527 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -101.11 138.5 38.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.495 1.118 . . . . 0.0 113.882 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.0 mt -80.76 170.82 15.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.819 2.048 . . . . 0.0 111.128 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.98 65.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -170.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -95.39 2.87 54.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 120.111 1.323 . . . . 0.0 113.36 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.55 79.57 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 125.268 1.413 . . . . 0.0 115.423 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 m -66.07 142.85 57.65 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.93 1.365 . . . . 0.0 110.938 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -73.09 142.98 47.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.551 -0.718 . . . . 0.0 111.451 170.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.53 149.3 47.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.917 0.865 . . . . 0.0 111.741 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.66 -35.15 65.21 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.806 0.842 . . . . 0.0 112.676 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -161.96 167.23 24.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.174 1.79 . . . . 0.0 112.312 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.96 94.94 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 125.054 1.311 . . . . 0.0 115.711 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -67.36 -41.23 85.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.983 1.891 . . . . 0.0 111.818 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.91 82.28 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.97 74.9 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.939 1.295 . . . . 0.0 113.374 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -31.42 25.7 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.443 1.097 . . . . 0.0 113.21 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -21.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -174.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.61 -20.8 65.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.681 -1.262 . . . . 0.0 113.049 172.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.76 -6.54 59.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.697 1.199 . . . . 0.0 112.806 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.66 104.61 11.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 120.086 1.312 . . . . 0.0 109.978 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.3 m -86.31 -17.65 34.02 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -168.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -109.86 -12.86 14.54 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.169 0.988 . . . . 0.0 113.209 173.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.32 57.33 4.74 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 119.35 0.977 . . . . 0.0 112.465 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 p30 -112.96 -1.98 14.39 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.596 1.558 . . . . 0.0 113.094 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.271 15.1 t-20 67.22 31.95 6.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 125.947 1.699 . . . . 0.0 114.806 -175.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.6 pt -139.14 152.59 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 125.942 1.697 . . . . 0.0 112.131 163.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mm -101.41 116.19 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.45 1.1 . . . . 0.0 108.089 167.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -147.82 168.28 22.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.418 1.487 . . . . 0.0 112.365 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.74 -25.64 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.65 63.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.06 135.61 51.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.827 1.194 . . . . 0.0 112.037 172.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -16.1 60.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.84 -36.11 74.02 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -73.49 -18.97 61.05 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 121.378 -0.826 . . . . 0.0 113.175 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -91.57 -15.91 27.94 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.773 1.629 . . . . 0.0 115.107 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.66 146.21 55.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.897 0.879 . . . . 0.0 112.456 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -141.66 168.09 20.59 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.553 1.941 . . . . 0.0 111.139 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.24 131.64 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 124.996 1.319 . . . . 0.0 109.388 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -99.97 129.25 46.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.358 1.063 . . . . 0.0 111.211 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.82 100.89 7.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.196 1.798 . . . . 0.0 109.07 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -72.21 92.22 1.35 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.162 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 -22.47 66.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -167.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -115.65 10.1 15.43 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 171.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 58.37 29.07 17.66 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 117.943 2.572 . . . . 0.0 117.943 170.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -101.56 -8.05 22.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 119.84 -1.787 . . . . 0.0 115.788 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.57 6.75 88.22 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 124.467 1.032 . . . . 0.0 115.049 -177.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.4 131.08 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 125.009 1.323 . . . . 0.0 107.84 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -86.59 145.43 26.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.312 0.96 . . . . 0.0 113.434 -176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -143.42 149.98 38.41 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 126.363 1.865 . . . . 0.0 110.598 171.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.51 72.66 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -62.06 -19.8 63.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.662 1.585 . . . . 0.0 114.074 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -97.33 -5.39 36.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.537 1.535 . . . . 0.0 113.072 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.8 mt -90.19 155.97 18.65 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 124.413 1.085 . . . . 0.0 111.615 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -139.8 151.02 45.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.364 1.866 . . . . 0.0 111.103 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.7 p -72.71 164.95 25.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.808 1.243 . . . . 0.0 112.449 167.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.19 -42.68 79.57 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.347 -0.845 . . . . 0.0 111.53 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.99 -42.26 99.8 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.351 0.66 . . . . 0.0 112.454 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.92 -14.25 61.43 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.3 mt -97.25 1.25 49.42 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.921 1.689 . . . . 0.0 113.665 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 25.81 62.5 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.285 1.421 . . . . 0.0 114.704 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 59.9 mt -98.25 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 125.645 1.578 . . . . 0.0 110.517 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -119.82 -43.34 2.57 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.965 1.706 . . . . 0.0 113.849 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 84.1 p -155.41 159.4 39.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.453 -1.404 . . . . 0.0 113.096 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.12 134.59 54.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.76 1.224 . . . . 0.0 109.822 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -81.87 132.16 35.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.285 0.493 . . . . 0.0 110.758 172.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -92.27 -0.65 57.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.276 -0.89 . . . . 0.0 113.305 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.52 141.33 30.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.532 1.133 . . . . 0.0 111.625 166.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -144.94 171.37 14.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.018 1.327 . . . . 0.0 111.916 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -128.58 142.24 51.11 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.363 1.065 . . . . 0.0 109.599 163.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -76.76 127.69 33.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 123.825 0.85 . . . . 0.0 111.07 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.2 -20.62 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.739 1.616 . . . . 0.0 114.859 -169.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 47.7 41.79 14.36 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.459 1.904 . . . . 0.0 114.952 172.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.29 115.16 15.76 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 111.982 -173.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -64.08 122.73 17.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.807 0.843 . . . . 0.0 110.103 171.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.23 14.25 22.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.641 1.577 . . . . 0.0 112.528 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.3 165.74 32.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 125.394 1.473 . . . . 0.0 114.394 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 56.73 16.1 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.6 0.48 52.97 Favored Glycine 0 C--N 1.34 0.766 0 C-N-CA 125.561 1.553 . . . . 0.0 115.066 -176.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.46 135.88 35.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.914 1.357 . . . . 0.0 111.819 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.5 m -138.33 126.04 22.26 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.927 1.291 . . . . 0.0 111.62 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.27 104.53 12.65 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.872 -1.143 . . . . 0.0 109.342 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.62 20.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.673 0.789 . . . . 0.0 112.424 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -128.71 136.5 50.68 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.374 1.87 . . . . 0.0 110.25 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -127.62 141.7 51.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 125.274 1.43 . . . . 0.0 112.267 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.78 -155.0 7.0 Favored Glycine 0 C--N 1.338 0.671 0 C-N-CA 126.916 2.198 . . . . 0.0 111.573 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 99.5 p -130.11 163.05 27.43 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -121.36 160.52 23.86 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.657 1.583 . . . . 0.0 110.039 161.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.9 m -110.74 138.92 46.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.659 1.183 . . . . 0.0 110.127 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.31 167.84 13.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.312 1.845 . . . . 0.0 112.976 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 11.2 p -57.38 -24.84 57.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.278 1.431 . . . . 0.0 113.576 171.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -95.6 13.84 24.91 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 113.655 173.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 76.25 -9.82 18.46 Favored Glycine 0 C--N 1.338 0.642 0 O-C-N 120.666 -1.271 . . . . 0.0 116.132 174.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.8 p -70.39 159.89 33.34 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.128 1.371 . . . . 0.0 112.274 170.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.9 p -115.41 153.1 31.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.54 163.12 35.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.737 2.015 . . . . 0.0 111.675 -174.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.75 145.05 34.65 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.4 ptm -149.8 166.64 28.84 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 164.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.56 173.16 45.03 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -86.81 104.41 16.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 110.376 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 45.4 tp -93.42 116.61 29.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.427 1.491 . . . . 0.0 110.649 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 68.1 mt -74.97 124.54 27.13 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 57.4 mt . . . . . 0 N--CA 1.445 -0.7 0 C-N-CA 124.547 1.139 . . . . 0.0 111.433 -169.045 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.482 0 N-CA-C 113.428 0.511 . . . . 0.0 113.428 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.86 130.1 43.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.49 144.96 50.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.646 2.378 . . . . 0.0 111.273 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.45 134.28 55.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.339 1.456 . . . . 0.0 110.453 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -81.46 112.25 18.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.355 0.662 . . . . 0.0 109.305 165.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 mt -90.82 -42.13 10.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -90.36 9.29 29.52 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.49 38.07 29.46 Favored Glycine 0 CA--C 1.523 0.59 0 O-C-N 120.809 -1.182 . . . . 0.0 115.577 161.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -137.92 13.17 2.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.48 1.112 . . . . 0.0 113.549 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.81 159.02 30.55 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 126.456 1.979 . . . . 0.0 114.081 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.86 130.66 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 O-C-N 121.473 -1.016 . . . . 0.0 108.932 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -118.72 141.5 48.56 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.084 0.954 . . . . 0.0 112.777 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -136.65 138.22 40.88 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.244 1.017 . . . . 0.0 113.309 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.223 -0.327 0 C-N-CA 126.33 1.852 . . . . 0.0 110.633 -169.707 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.399 0.618 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.76 146.47 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 123.028 1.394 . . . . 0.0 113.077 175.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -56.92 154.37 9.58 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 126.612 1.965 . . . . 0.0 111.976 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.12 -18.24 65.22 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.27 -19.0 54.57 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -110.32 -176.73 3.06 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.309 1.844 . . . . 0.0 112.174 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.56 166.11 37.11 Favored Glycine 0 CA--C 1.519 0.301 0 O-C-N 121.135 -0.978 . . . . 0.0 114.474 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.1 mt -97.93 140.8 31.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.644 1.177 . . . . 0.0 111.27 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.34 129.15 36.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.99 0.516 . . . . 0.0 109.661 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.3 m -145.12 165.2 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.347 1.459 . . . . 0.0 111.883 -173.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -146.45 130.89 17.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.007 0.923 . . . . 0.0 109.958 159.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.69 115.65 9.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.9 -14.54 50.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -170.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -130.37 5.99 4.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.4 23.57 73.5 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-O 118.921 -0.933 . . . . 0.0 115.342 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -85.88 -1.02 56.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.227 1.411 . . . . 0.0 114.522 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.9 11.56 83.7 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 125.033 1.302 . . . . 0.0 115.306 175.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.42 155.0 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.285 1.834 . . . . 0.0 112.097 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.99 112.39 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 125.751 1.62 . . . . 0.0 107.735 167.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -133.72 -2.43 2.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -139.02 146.84 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.868 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.49 -26.84 64.99 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.62 1.105 . . . . 0.0 115.614 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.39 -2.72 56.45 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.304 1.552 . . . . 0.0 114.631 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.76 -20.11 50.7 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.971 1.26 . . . . 0.0 112.413 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.54 163.14 23.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.335 2.254 . . . . 0.0 110.052 167.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 63.8 m-85 -99.78 106.77 18.69 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 121.356 -0.84 . . . . 0.0 110.514 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.31 -159.3 22.19 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.572 1.082 . . . . 0.0 112.946 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -75.84 6.8 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -94.71 -8.17 38.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.372 1.469 . . . . 0.0 112.98 166.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.8 m -77.51 136.93 38.37 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 119.758 1.163 . . . . 0.0 111.342 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -104.35 133.81 48.62 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.45 1.5 . . . . 0.0 110.529 173.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.2 mt -94.54 170.1 9.71 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.467 1.907 . . . . 0.0 112.216 -171.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.87 -22.95 65.09 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.523 -1.361 . . . . 0.0 114.5 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -78.9 2.02 21.58 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.26 -3.76 85.3 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 126.316 1.913 . . . . 0.0 115.051 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -84.75 157.6 20.98 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 120.373 2.086 . . . . 0.0 113.404 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -83.42 139.5 32.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.869 -1.145 . . . . 0.0 111.779 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.09 58.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.827 1.251 . . . . 0.0 112.907 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -72.06 -32.43 67.07 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.135 -0.978 . . . . 0.0 113.513 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.88 170.47 22.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.192 1.797 . . . . 0.0 111.853 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.34 -24.72 65.91 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.999 1.285 . . . . 0.0 115.011 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -70.65 -44.09 67.84 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 118.383 1.092 . . . . 0.0 111.84 173.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.56 72.73 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 118.97 0.804 . . . . 0.0 112.478 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.65 -51.54 64.73 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.377 0.671 . . . . 0.0 112.234 170.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.2 tp -72.08 -32.76 67.34 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 121.045 -1.035 . . . . 0.0 113.256 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.1 61.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.81 -20.8 64.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.007 -1.058 . . . . 0.0 112.953 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.6 mt -96.62 1.26 51.0 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -164.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -73.75 124.02 25.23 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.728 1.149 . . . . 0.0 111.867 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.9 p -89.61 -13.7 36.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.514 1.525 . . . . 0.0 114.716 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -110.54 -22.42 11.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -168.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.73 30.16 66.53 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 119.033 0.833 . . . . 0.0 113.311 -166.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -97.75 -5.24 35.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 124.772 1.229 . . . . 0.0 113.018 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.6 t30 62.11 28.56 17.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.981 1.712 . . . . 0.0 114.451 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.1 pt -135.02 153.56 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.415 1.486 . . . . 0.0 111.284 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -99.72 116.2 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -146.73 177.11 9.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.73 1.612 . . . . 0.0 111.328 -173.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.72 -16.6 41.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -173.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -20.5 65.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 170.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -91.3 139.89 30.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.046 1.739 . . . . 0.0 112.939 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.82 81.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.69 67.86 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -57.08 -30.84 64.65 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.603 1.161 . . . . 0.0 113.289 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -80.69 -20.72 42.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -111.1 -12.83 14.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 125.625 1.57 . . . . 0.0 114.732 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.3 141.53 58.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.873 1.269 . . . . 0.0 112.355 169.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -136.74 165.47 25.84 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.027 1.731 . . . . 0.0 111.324 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.48 126.21 75.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 124.379 1.072 . . . . 0.0 108.139 167.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -91.13 118.55 30.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.734 0.697 . . . . 0.0 110.195 172.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -100.41 117.45 34.62 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.259 1.023 . . . . 0.0 109.965 165.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -83.2 74.43 10.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.918 -1.114 . . . . 0.0 109.822 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.1 mt -58.24 -31.09 67.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 126.121 1.768 . . . . 0.0 114.587 -166.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -111.03 14.15 21.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.095 1.358 . . . . 0.0 114.425 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 57.25 60.49 2.91 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.172 1.789 . . . . 0.0 114.284 159.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -141.49 7.24 1.92 Allowed 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.66 -0.91 47.92 Favored Glycine 0 N--CA 1.44 -1.077 0 O-C-N 120.12 -1.613 . . . . 0.0 115.878 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.6 mt -98.18 128.64 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 p -87.25 156.91 19.45 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.03 -1.043 . . . . 0.0 112.383 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -137.69 156.27 48.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 124.8 1.24 . . . . 0.0 110.918 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.48 -25.15 66.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -76.44 -22.62 54.4 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.486 1.514 . . . . 0.0 113.885 168.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -85.5 -17.21 37.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.495 1.518 . . . . 0.0 113.619 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.35 126.1 30.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.763 1.225 . . . . 0.0 110.482 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 -111.16 143.74 41.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.119 2.168 . . . . 0.0 110.968 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.2 p -77.15 161.22 28.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.821 1.648 . . . . 0.0 111.213 168.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.42 -33.21 71.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.43 -0.794 . . . . 0.0 111.317 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.77 -41.7 82.89 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.401 1.08 . . . . 0.0 113.095 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.33 -25.62 62.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 119.22 0.918 . . . . 0.0 113.129 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.71 4.08 23.19 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 125.505 1.522 . . . . 0.0 112.823 169.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.37 26.2 74.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.576 1.56 . . . . 0.0 113.987 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.8 mt -82.78 137.93 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 119.034 1.417 . . . . 0.0 110.536 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -99.48 -45.38 5.84 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.415 1.886 . . . . 0.0 111.365 170.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.8 p -156.58 159.76 38.82 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 28.7 mt -112.65 136.56 52.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 126.386 1.874 . . . . 0.0 108.832 167.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -85.29 137.1 33.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.687 0.795 . . . . 0.0 111.202 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.57 -11.49 39.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.214 1.005 . . . . 0.0 113.51 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.93 142.01 35.51 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.74 0.816 . . . . 0.0 111.509 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -145.96 172.92 12.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.651 1.18 . . . . 0.0 111.669 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -133.84 143.09 48.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.124 1.77 . . . . 0.0 109.871 166.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -66.98 133.55 50.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.591 1.157 . . . . 0.0 109.884 171.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.1 p -136.6 -37.28 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -167.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.2 m120 50.08 56.91 7.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 127.183 2.193 . . . . 0.0 114.518 171.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -107.21 131.95 53.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.951 1.701 . . . . 0.0 112.577 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -75.86 125.01 28.27 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 123.696 0.798 . . . . 0.0 110.178 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 19.2 mt -100.54 -27.1 13.59 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.13 7.63 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.998 1.285 . . . . 0.0 112.67 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 53.88 30.16 11.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.271 1.828 . . . . 0.0 114.55 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.29 12.84 81.66 Favored Glycine 0 C--N 1.334 0.436 0 O-C-N 120.835 -1.165 . . . . 0.0 115.003 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -100.56 142.28 32.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 118.989 1.395 . . . . 0.0 110.951 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.3 m -135.9 123.99 22.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.584 0.753 . . . . 0.0 111.893 -169.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.61 110.43 14.93 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.857 -1.152 . . . . 0.0 109.301 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.98 -43.99 11.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -128.15 145.29 51.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.555 1.542 . . . . 0.0 110.233 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -138.15 144.88 40.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.392 1.077 . . . . 0.0 113.432 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.7 -160.03 9.93 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 127.672 2.558 . . . . 0.0 113.07 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -127.07 168.1 15.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -138.84 159.55 41.86 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.415 1.486 . . . . 0.0 111.239 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 m -122.66 143.48 49.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.256 1.423 . . . . 0.0 111.513 -170.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.91 162.18 13.23 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.405 1.882 . . . . 0.0 113.091 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 38.5 p -60.27 -36.08 76.98 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.954 -1.091 . . . . 0.0 112.358 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -76.69 2.73 13.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.56 0.86 89.32 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 79.0 p -72.94 161.1 31.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 119.827 1.813 . . . . 0.0 112.395 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 18.7 p -121.55 150.47 41.61 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.724 1.609 . . . . 0.0 112.856 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.83 172.18 13.38 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 127.16 2.184 . . . . 0.0 111.531 -170.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.0 140.57 48.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.87 1.268 . . . . 0.0 113.983 -165.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 24.6 ptm -149.96 169.12 21.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.664 1.185 . . . . 0.0 112.139 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.99 177.23 48.27 Favored Glycine 0 CA--C 1.52 0.402 0 O-C-N 121.429 -0.795 . . . . 0.0 114.184 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.28 119.96 31.77 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 124.012 0.925 . . . . 0.0 110.628 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.1 tp -110.81 119.48 39.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.233 1.813 . . . . 0.0 110.62 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.47 105.45 6.5 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.434 1.494 . . . . 0.0 109.644 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 N--CA 1.445 -0.706 0 C-N-CA 125.347 1.459 . . . . 0.0 110.834 -179.369 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.253 0 N-CA-C 112.637 0.207 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.57 125.87 26.07 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.25 148.22 51.16 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.423 2.289 . . . . 0.0 111.463 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.77 137.31 52.29 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.504 1.522 . . . . 0.0 110.489 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -79.01 105.24 10.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.029 1.331 . . . . 0.0 109.722 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -31.99 19.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -101.89 -5.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.4 5.46 63.46 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 118.459 2.144 . . . . 0.0 118.459 167.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -96.9 21.69 9.3 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.442 1.621 . . . . 0.0 113.958 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.99 158.89 33.2 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 126.076 1.798 . . . . 0.0 113.469 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.41 123.31 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.75 160.8 37.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -174.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.5 p -127.92 160.98 30.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.775 1.63 . . . . 0.0 113.611 -166.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.447 -0.598 0 C-N-CA 126.107 1.763 . . . . 0.0 110.271 175.513 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 122.035 0.922 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.52 138.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 O-C-N 121.374 -0.829 . . . . 0.0 111.236 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.0 t -61.37 157.68 16.18 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.202 1.401 . . . . 0.0 113.328 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.17 -12.0 60.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.02 -24.25 30.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 120.059 -1.651 . . . . 0.0 112.941 171.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.31 -179.19 3.85 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 127.738 2.415 . . . . 0.0 112.47 -176.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.47 169.11 36.89 Favored Glycine 0 C--N 1.339 0.713 0 O-C-N 120.132 -1.605 . . . . 0.0 115.892 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -98.09 144.2 27.83 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 125.432 1.493 . . . . 0.0 112.101 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.8 128.51 33.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.303 0.641 . . . . 0.0 109.963 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.5 m -143.61 163.28 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 124.319 1.048 . . . . 0.0 113.827 -171.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -154.05 114.57 3.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.658 1.183 . . . . 0.0 111.805 164.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -69.27 120.88 15.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.745 1.218 . . . . 0.0 110.619 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.0 mt -78.1 -6.7 55.49 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 120.88 -1.138 . . . . 0.0 113.568 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -88.15 -17.47 30.86 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.865 1.266 . . . . 0.0 112.608 167.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.18 27.03 73.88 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.959 -1.088 . . . . 0.0 115.183 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -108.17 -17.17 14.09 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.216 1.406 . . . . 0.0 113.29 176.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.14 23.66 29.04 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 125.478 1.513 . . . . 0.0 115.43 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.6 114.55 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.552 1.176 . . . . 0.0 108.639 172.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -90.07 104.65 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.79 1.636 . . . . 0.0 108.509 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -140.99 -5.23 1.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -174.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -119.93 142.92 48.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.388 1.475 . . . . 0.0 111.789 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.06 -21.39 56.07 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.749 1.059 . . . . 0.0 115.749 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.05 -0.97 15.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 173.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -105.33 -11.39 16.5 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.777 2.031 . . . . 0.0 113.141 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.5 mt -88.38 163.68 15.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.839 2.056 . . . . 0.0 110.002 158.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -101.5 112.49 25.06 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.773 0.829 . . . . 0.0 111.918 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.29 -160.9 25.84 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 126.227 1.87 . . . . 0.0 112.796 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.16 -19.54 62.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.29 7.82 23.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.519 1.128 . . . . 0.0 112.681 175.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -99.06 145.44 27.11 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 120.383 -1.448 . . . . 0.0 110.974 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.5 155.37 23.39 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.734 0.778 . . . . 0.0 113.049 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.9 mt -90.74 172.5 8.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 109.816 162.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.31 -14.72 63.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -89.51 -1.7 58.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 120.662 -1.273 . . . . 0.0 113.983 173.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.08 3.32 85.26 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 125.35 1.452 . . . . 0.0 115.425 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.0 p -78.08 157.3 29.58 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 119.117 1.458 . . . . 0.0 111.142 168.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -84.9 143.56 28.94 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 120.288 -1.508 . . . . 0.0 112.419 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.02 155.64 38.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -62.7 -42.29 99.57 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.339 1.055 . . . . 0.0 111.87 168.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -159.24 163.96 35.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.802 1.641 . . . . 0.0 112.154 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.27 93.93 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.127 1.346 . . . . 0.0 115.483 -174.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -63.79 -30.68 71.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.123 1.461 . . . . 0.0 112.748 173.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.64 62.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.254 0.934 . . . . 0.0 112.237 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.97 79.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.16 -35.48 61.6 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 124.916 1.286 . . . . 0.0 112.34 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.02 -19.02 64.88 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.54 -20.58 64.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.787 1.235 . . . . 0.0 113.934 171.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.7 mt -94.2 -4.69 48.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.757 1.223 . . . . 0.0 114.216 -171.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -72.46 125.53 27.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 118.961 0.801 . . . . 0.0 110.777 170.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -90.73 -33.65 15.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -171.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -112.65 -3.4 14.3 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.004 1.721 . . . . 0.0 115.095 -171.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.97 21.08 77.01 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 115.771 1.068 . . . . 0.0 115.771 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -77.24 -5.44 49.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.201 1.501 . . . . 0.0 113.077 172.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.261 8.2 t30 63.74 25.23 14.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.897 2.479 . . . . 0.0 114.038 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.07 151.72 35.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.322 1.449 . . . . 0.0 111.054 169.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.4 mm -97.86 114.83 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -147.65 172.77 13.53 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.718 1.207 . . . . 0.0 111.813 -172.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.44 -17.49 31.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -167.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.19 -18.24 50.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.45 135.09 37.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.274 1.03 . . . . 0.0 110.956 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.17 75.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 120.716 -1.24 . . . . 0.0 113.858 -173.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.46 66.74 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.91 -27.24 68.68 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 119.708 1.14 . . . . 0.0 113.312 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.37 -16.03 50.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -113.21 -16.78 12.49 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 115.837 1.792 . . . . 0.0 115.837 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.61 148.05 49.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.055 1.342 . . . . 0.0 110.905 166.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -138.29 170.73 15.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.508 1.923 . . . . 0.0 110.405 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -120.64 123.95 71.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 C-N-CA 124.748 1.219 . . . . 0.0 109.635 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -93.49 114.14 26.44 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.703 1.201 . . . . 0.0 110.976 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -109.16 97.07 6.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.441 1.097 . . . . 0.0 108.84 167.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.79 122.12 21.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.539 0.736 . . . . 0.0 110.371 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.2 mt -83.39 -5.49 59.16 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.144 0.978 . . . . 0.0 113.355 -173.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -111.65 -11.63 13.99 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.251 1.821 . . . . 0.0 112.248 170.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 51.08 35.63 13.49 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.864 2.066 . . . . 0.0 113.738 -166.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -101.25 -11.31 19.59 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.67 16.61 76.1 Favored Glycine 0 N--CA 1.446 -0.635 0 O-C-N 121.065 -1.022 . . . . 0.0 114.47 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.6 113.94 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 166.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -85.79 139.79 31.01 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.899 -1.125 . . . . 0.0 112.977 -165.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -129.83 144.15 51.16 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.835 1.254 . . . . 0.0 109.293 168.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.22 -27.66 68.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -172.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -61.55 -27.4 68.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.97 0.908 . . . . 0.0 112.924 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.3 -10.0 59.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.341 1.456 . . . . 0.0 113.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.6 mp -98.4 130.08 45.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.071 0.948 . . . . 0.0 109.895 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.426 HH21 ' CD ' ' A' ' 124' ' ' GLU . 7.1 mmm180 -115.79 154.21 30.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.806 2.042 . . . . 0.0 111.36 176.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.1 p -80.63 152.86 28.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.279 1.032 . . . . 0.0 112.833 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.49 -35.89 80.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.571 0.749 . . . . 0.0 111.556 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.94 -33.01 65.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.426 ' CD ' HH21 ' A' ' 120' ' ' ARG . 36.3 tt0 -66.01 -34.88 79.1 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 119.053 0.842 . . . . 0.0 112.21 172.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.34 7.84 18.11 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.808 1.243 . . . . 0.0 113.717 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.46 27.59 73.7 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.127 -0.983 . . . . 0.0 114.74 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -83.23 132.24 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 119.106 1.453 . . . . 0.0 110.285 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -94.59 -51.73 4.61 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 111.016 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.4 p -157.18 160.31 38.61 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.477 1.111 . . . . 0.0 112.767 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt -112.33 136.18 52.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.882 1.673 . . . . 0.0 110.252 171.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -90.36 125.79 35.66 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.158 0.983 . . . . 0.0 111.571 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.66 -15.28 59.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.24 0.927 . . . . 0.0 113.219 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.02 140.12 48.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 119.822 1.192 . . . . 0.0 111.562 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -145.17 166.96 23.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.972 0.909 . . . . 0.0 112.68 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -129.16 148.34 51.09 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.802 2.041 . . . . 0.0 110.195 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -78.35 126.46 30.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.272 1.429 . . . . 0.0 110.95 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.65 -27.19 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 44.69 41.01 4.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 126.497 1.919 . . . . 0.0 115.739 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -76.57 116.53 17.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.76 0.824 . . . . 0.0 110.238 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -83.29 107.5 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.695 0.798 . . . . 0.0 109.359 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.3 mt -91.28 5.5 48.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -168.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.71 171.85 37.56 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 124.598 1.095 . . . . 0.0 113.156 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.02 29.57 3.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.247 1.819 . . . . 0.0 114.799 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.62 89.22 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 125.46 1.505 . . . . 0.0 116.278 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -95.31 145.68 24.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.473 1.636 . . . . 0.0 112.84 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.1 m -144.89 137.93 26.6 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.126 1.37 . . . . 0.0 109.958 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.0 tp -96.77 107.32 19.77 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 0.0 109.691 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.52 -49.75 8.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -127.39 141.92 51.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 126.787 2.035 . . . . 0.0 109.563 -175.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -138.89 142.98 38.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.316 1.046 . . . . 0.0 112.383 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.73 -147.89 4.62 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 127.14 2.305 . . . . 0.0 110.708 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 85.3 p -129.25 166.03 20.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -130.42 159.77 36.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.995 1.718 . . . . 0.0 109.418 157.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 98.6 m -111.86 134.46 53.4 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.598 1.159 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -92.9 159.05 15.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.11 1.764 . . . . 0.0 111.789 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.0 p -66.73 -17.99 65.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.22 1.408 . . . . 0.0 114.766 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -83.11 3.15 31.87 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.15 1.78 . . . . 0.0 114.607 170.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.5 2.81 87.02 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.394 1.473 . . . . 0.0 115.806 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 5.3 m -82.79 148.74 27.62 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.572 1.686 . . . . 0.0 110.844 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 35.8 p -105.95 146.59 29.83 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.561 0.744 . . . . 0.0 111.455 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.79 155.65 46.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 111.366 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -71.69 144.68 49.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.754 0.788 . . . . 0.0 112.395 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.1 ptm -141.15 161.42 37.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.606 0.762 . . . . 0.0 109.915 159.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.74 173.24 46.15 Favored Glycine 0 C--N 1.336 0.573 0 O-C-N 121.987 -0.446 . . . . 0.0 114.068 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -86.52 102.97 14.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.943 0.897 . . . . 0.0 110.752 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 65.2 tp -102.48 108.34 19.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.642 1.977 . . . . 0.0 109.131 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.08 136.31 44.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.037 1.335 . . . . 0.0 110.206 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.447 -0.605 0 C-N-CA 126.657 1.983 . . . . 0.0 110.77 -163.865 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.187 0 N-CA-C 114.093 0.766 . . . . 0.0 114.093 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -67.75 124.83 24.38 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -175.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.71 143.82 48.56 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 126.471 1.909 . . . . 0.0 111.514 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 mp -117.12 134.97 54.11 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.412 1.885 . . . . 0.0 109.872 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -80.44 109.1 14.62 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.142 0.977 . . . . 0.0 109.852 166.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.25 -33.83 17.95 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -99.32 -6.49 27.81 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 42.66 5.15 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 115.691 1.036 . . . . 0.0 115.691 167.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.9 p30 -138.36 20.27 2.75 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.168 1.387 . . . . 0.0 113.787 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.62 165.47 41.35 Favored Glycine 0 CA--C 1.523 0.567 0 C-N-CA 126.166 1.841 . . . . 0.0 114.135 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.6 mt -76.8 138.55 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.337 1.455 . . . . 0.0 109.497 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -146.71 158.33 43.88 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 120.807 -1.183 . . . . 0.0 113.281 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.0 p -130.82 158.68 39.51 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -164.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -129.75 170.71 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 127.829 2.452 . . . . 0.0 110.279 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.31 150.11 40.37 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.0 p -125.42 145.23 50.16 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 127.221 2.208 . . . . 0.0 112.347 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -150.58 149.68 30.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.92 1.288 . . . . 0.0 111.808 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.84 -121.26 5.71 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -168.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -58.03 150.96 19.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 118.053 0.926 . . . . 0.0 111.716 163.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 m 59.86 21.52 10.45 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.97 -151.36 8.7 Favored Glycine 0 C--N 1.342 0.911 0 N-CA-C 116.843 1.497 . . . . 0.0 116.843 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.5 m -63.48 123.09 17.89 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.754 1.222 . . . . 0.0 111.804 170.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -68.15 132.28 46.9 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.535 0.734 . . . . 0.0 109.582 167.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -130.27 19.87 5.32 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.326 1.451 . . . . 0.0 114.177 -173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -75.69 118.51 18.6 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.618 -1.301 . . . . 0.0 112.936 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -64.44 -29.84 70.88 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.305 1.042 . . . . 0.0 113.358 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -71.93 -46.16 58.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 123.978 0.911 . . . . 0.0 111.745 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -70.69 -44.56 66.72 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 118.219 -0.896 . . . . 0.0 112.557 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -149.6 -65.43 0.22 Allowed 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 123.937 0.895 . . . . 0.0 112.475 -169.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.38 165.26 20.22 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 125.082 1.325 . . . . 0.0 112.594 -169.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.1 mt -75.95 133.96 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.8 mtt-85 -131.77 160.22 36.19 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.625 1.57 . . . . 0.0 111.428 -173.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.3 m -70.52 129.21 38.62 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.228 1.011 . . . . 0.0 111.443 -174.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.35 144.81 56.86 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.554 0.741 . . . . 0.0 112.682 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.36 128.67 34.46 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.838 0.855 . . . . 0.0 111.9 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.03 149.12 17.92 Favored Glycine 0 N--CA 1.441 -1.024 0 C-N-CA 124.366 0.984 . . . . 0.0 113.617 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 29.5 t-105 -148.15 167.74 24.26 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 124.932 1.293 . . . . 0.0 110.994 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.62 151.92 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 123.98 0.912 . . . . 0.0 113.027 171.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 p -53.65 163.19 0.71 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.872 1.269 . . . . 0.0 114.394 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.38 -8.66 48.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -87.59 -32.77 19.16 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.613 -1.304 . . . . 0.0 113.133 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -100.55 -167.94 1.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.126 1.771 . . . . 0.0 112.934 -170.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.28 170.13 39.37 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 120.357 -1.465 . . . . 0.0 115.305 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.7 mt -110.79 146.63 36.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.387 1.475 . . . . 0.0 111.939 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 tp -84.16 130.21 34.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.573 0.749 . . . . 0.0 111.156 176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.34 165.05 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 C-N-CA 124.47 1.108 . . . . 0.0 112.943 -172.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -145.19 125.1 13.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.127 1.771 . . . . 0.0 109.416 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -80.72 121.76 26.29 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 118.53 0.605 . . . . 0.0 109.457 172.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.0 mt -105.26 -3.21 23.11 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.579 1.151 . . . . 0.0 113.94 -171.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -125.78 1.24 7.43 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 18.29 78.97 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 115.814 1.086 . . . . 0.0 115.814 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -85.53 2.75 43.52 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 119.372 1.586 . . . . 0.0 114.537 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.33 3.28 90.68 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.54 1.543 . . . . 0.0 115.917 174.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.4 pt -138.59 163.44 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 126.15 1.78 . . . . 0.0 112.49 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.6 mm -101.02 112.28 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 125.0 1.32 . . . . 0.0 109.561 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -146.85 1.04 0.77 Allowed 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -170.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -124.9 148.14 48.47 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 124.939 1.296 . . . . 0.0 111.312 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.32 -22.59 44.86 Favored Glycine 0 N--CA 1.438 -1.205 0 N-CA-C 116.919 1.528 . . . . 0.0 116.919 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.72 -10.48 55.56 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.578 1.689 . . . . 0.0 115.298 176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -84.9 -13.15 51.77 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -171.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -113.34 114.41 26.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.131 1.772 . . . . 0.0 109.266 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -64.37 124.96 23.1 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -169.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.71 -164.74 33.39 Favored Glycine 0 CA--C 1.53 1.021 0 C-N-CA 124.325 0.964 . . . . 0.0 113.014 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -71.17 24.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -128.13 -11.03 5.3 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.77 2.028 . . . . 0.0 113.056 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -73.26 150.31 42.08 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 118.988 0.813 . . . . 0.0 110.283 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -104.76 144.99 30.99 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.916 0.886 . . . . 0.0 113.087 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.9 mt -82.13 175.01 10.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 128.652 2.781 . . . . 0.0 110.983 176.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.34 69.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -81.52 -3.62 53.65 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 120.477 -1.389 . . . . 0.0 114.46 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.16 4.42 74.49 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 120.635 -1.291 . . . . 0.0 115.074 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.9 m -70.61 147.97 48.62 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.613 1.706 . . . . 0.0 110.666 167.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -72.2 143.57 48.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.89 -1.131 . . . . 0.0 111.591 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.41 144.83 44.14 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.198 0.999 . . . . 0.0 111.936 171.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -75.14 -27.23 59.69 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.471 ' CD2' HE22 ' A' ' 149' ' ' GLN . 0.7 OUTLIER -159.18 171.0 20.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.744 2.017 . . . . 0.0 110.959 176.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.02 -27.18 66.73 Favored Glycine 0 CA--C 1.521 0.417 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.672 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -68.55 -43.3 76.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 118.837 1.318 . . . . 0.0 112.348 174.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -34.29 77.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.824 -0.547 . . . . 0.0 112.409 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.49 84.46 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.792 1.237 . . . . 0.0 113.287 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.5 tp -78.67 -34.48 46.27 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 112.979 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.14 -24.6 64.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -55.1 -23.04 18.69 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 124.954 1.301 . . . . 0.0 114.056 171.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.6 mt -96.43 -5.0 40.7 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.693 1.197 . . . . 0.0 114.011 -170.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -69.51 121.29 16.74 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 119.154 0.888 . . . . 0.0 109.967 168.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -84.45 -37.94 20.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -110.87 -10.38 14.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -166.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.5 37.85 11.58 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 120.37 1.441 . . . . 0.0 115.047 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -99.48 -2.34 36.21 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.104 1.362 . . . . 0.0 112.41 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.2 t30 63.88 25.31 13.96 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.136 2.174 . . . . 0.0 114.991 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.1 pt -132.4 152.93 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.177 1.391 . . . . 0.0 111.56 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.2 mm -100.68 113.4 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -143.45 167.28 22.57 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.234 1.814 . . . . 0.0 111.89 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.59 -19.94 42.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 -169.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.04 -21.04 62.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -75.68 125.78 29.72 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.081 1.352 . . . . 0.0 110.597 166.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.9 67.79 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.21 -19.18 63.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -62.0 -35.26 77.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 120.382 -1.448 . . . . 0.0 112.526 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -69.69 -19.26 63.59 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.474 -0.766 . . . . 0.0 113.057 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -98.49 -24.04 15.3 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.569 1.947 . . . . 0.0 113.524 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.3 mt -65.29 152.28 44.14 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.911 0.884 . . . . 0.0 112.445 173.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -141.02 164.41 30.35 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 126.32 1.848 . . . . 0.0 110.485 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.4 t -115.02 132.46 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 124.539 1.136 . . . . 0.0 109.087 168.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -98.44 118.22 34.62 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.006 1.322 . . . . 0.0 109.838 175.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -112.57 98.2 7.09 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.759 1.224 . . . . 0.0 108.608 168.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -76.78 123.2 25.85 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.889 0.476 . . . . 0.0 110.454 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.9 mt -87.23 -11.41 49.83 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -115.79 -2.25 12.44 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 164.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.264 5.4 mp0 58.73 30.25 19.73 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 126.931 2.092 . . . . 0.0 115.403 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -79.6 -19.95 48.08 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.807 -1.183 . . . . 0.0 113.13 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 69.8 33.65 71.15 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 124.643 1.116 . . . . 0.0 112.528 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.2 mt -122.78 120.23 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 126.49 1.916 . . . . 0.0 106.538 173.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.2 t -87.74 134.76 33.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -157.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -123.37 151.16 42.83 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.512 1.525 . . . . 0.0 110.909 166.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -35.56 75.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -166.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -66.46 -16.79 64.39 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.58 -16.3 54.5 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 125.977 1.711 . . . . 0.0 113.134 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.53 146.0 26.55 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.821 0.848 . . . . 0.0 110.252 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -139.44 153.37 47.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.962 2.105 . . . . 0.0 110.759 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -79.61 165.36 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.106 0.962 . . . . 0.0 112.359 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.39 -38.01 74.62 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 121.306 -0.872 . . . . 0.0 111.488 171.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.68 -38.35 80.27 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.858 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.56 -28.69 67.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 120.085 1.311 . . . . 0.0 113.086 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.2 mt -83.68 1.32 43.09 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.101 1.761 . . . . 0.0 112.967 173.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.11 26.15 72.98 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 121.173 -0.954 . . . . 0.0 114.289 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 98.4 mt -85.28 133.52 29.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 118.571 1.185 . . . . 0.0 110.246 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -93.56 -50.21 5.52 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.311 1.844 . . . . 0.0 111.655 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.1 p -158.21 161.75 37.82 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.261 1.025 . . . . 0.0 112.878 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.3 mp -115.61 139.62 49.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.253 1.421 . . . . 0.0 109.362 167.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -86.84 137.39 32.44 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 123.867 0.867 . . . . 0.0 111.518 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -91.25 -11.29 38.62 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 119.049 0.841 . . . . 0.0 113.119 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.71 135.89 39.06 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.951 1.251 . . . . 0.0 112.01 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -141.2 172.06 13.2 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.318 1.047 . . . . 0.0 113.648 -177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.46 142.81 45.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.478 2.311 . . . . 0.0 109.973 168.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -74.22 139.6 44.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 O-C-N 121.417 -0.802 . . . . 0.0 111.382 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.47 -35.65 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 C-N-CA 124.957 1.303 . . . . 0.0 114.065 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 51.31 40.81 27.18 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.666 1.586 . . . . 0.0 113.644 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -89.69 121.09 31.54 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.766 1.626 . . . . 0.0 112.221 -168.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -71.22 125.08 25.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 174.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.1 mt -97.32 -34.31 11.11 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.931 0.892 . . . . 0.0 113.141 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 143.91 158.85 7.75 Favored Glycine 0 C--N 1.339 0.739 0 C-N-CA 125.677 1.608 . . . . 0.0 112.6 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.5 m120 46.31 36.09 3.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 127.368 2.267 . . . . 0.0 114.97 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.99 -4.72 85.52 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 125.59 1.566 . . . . 0.0 116.745 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -83.56 135.41 34.64 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 119.091 1.445 . . . . 0.0 111.339 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 62.0 m -135.2 123.0 22.39 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 123.857 0.863 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -76.79 114.48 15.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 121.012 -1.055 . . . . 0.0 109.534 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -77.09 -52.78 8.72 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 118.794 0.725 . . . . 0.0 111.874 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.471 HE22 ' CD2' ' A' ' 76' ' ' HIS . 6.9 pt20 -141.37 147.3 37.82 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 125.634 1.574 . . . . 0.0 111.052 -175.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -133.65 142.09 47.9 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.939 1.295 . . . . 0.0 112.669 -173.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -140.33 -147.99 5.08 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 127.27 2.367 . . . . 0.0 111.233 168.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.9 m -126.24 164.77 20.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.898 1.279 . . . . 0.0 113.526 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -132.78 163.37 29.19 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.674 1.589 . . . . 0.0 109.254 155.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.5 m -122.97 139.82 53.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.775 1.23 . . . . 0.0 110.698 -174.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -98.14 157.66 16.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.588 1.955 . . . . 0.0 111.64 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.2 p -63.84 -24.49 67.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -69.59 -4.4 19.03 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 94.1 -0.29 66.47 Favored Glycine 0 C--N 1.343 0.936 0 C-N-CA 126.157 1.837 . . . . 0.0 115.399 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 2.0 m -85.96 151.46 23.73 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 119.34 1.57 . . . . 0.0 111.578 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.3 p -107.69 153.92 22.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.349 1.06 . . . . 0.0 112.341 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.92 164.12 33.93 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.479 1.512 . . . . 0.0 111.191 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -80.13 145.86 32.14 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-O 122.508 1.147 . . . . 0.0 112.991 -173.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.0 ptm -144.5 160.74 40.6 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.808 0.843 . . . . 0.0 110.329 162.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -170.38 172.45 44.04 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 118.424 0.557 . . . . 0.0 113.691 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -90.91 114.45 26.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.6 0.714 . . . . 0.0 109.938 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.8 tp -105.3 121.74 44.49 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.997 1.719 . . . . 0.0 110.731 -171.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 51.5 mt -78.62 121.5 24.74 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.85 1.26 . . . . 0.0 108.787 172.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 82.9 mt -100.66 137.46 39.03 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.969 1.308 . . . . 0.0 111.602 -172.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -74.87 142.59 44.08 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -158.76 167.26 29.94 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.288 1.835 . . . . 0.0 111.422 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -85.13 138.54 32.33 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 120.957 -1.089 . . . . 0.0 112.169 167.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -68.04 -7.38 28.74 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -171.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.71 -20.24 31.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -126.86 -26.26 3.21 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 18.7 m 51.17 22.06 1.22 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.839 1.656 . . . . 0.0 114.677 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 45.35 37.11 2.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 128.71 2.804 . . . . 0.0 115.756 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -65.04 149.02 50.59 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.229 -0.92 . . . . 0.0 112.969 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 94.7 mt -77.71 74.28 4.27 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.813 1.645 . . . . 0.0 110.775 173.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.249 1.075 0 C-N-CA 126.042 1.737 . . . . 0.0 113.76 178.555 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 49.9 Cg_exo . . . . . 0 CA--C 1.519 -0.252 0 N-CA-C 113.304 0.463 . . . . 0.0 113.304 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.98 124.44 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.523 1.129 . . . . 0.0 112.703 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.81 143.29 49.49 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.585 2.354 . . . . 0.0 112.044 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -118.06 133.09 56.24 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 127.067 2.147 . . . . 0.0 109.703 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -74.16 120.69 20.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 121.6 -0.688 . . . . 0.0 109.329 167.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.45 -41.86 13.23 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -113.45 21.59 15.01 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.124 1.77 . . . . 0.0 114.96 -170.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.42 28.92 68.86 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-O 118.42 -1.211 . . . . 0.0 116.083 166.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -129.87 13.79 5.81 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 119.492 1.646 . . . . 0.0 114.324 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.49 162.03 38.04 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.911 1.243 . . . . 0.0 113.49 -173.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -78.86 120.86 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 O-C-N 121.781 -0.835 . . . . 0.0 109.457 -176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.96 132.59 38.27 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 124.926 1.29 . . . . 0.0 111.778 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.9 p -135.23 159.86 40.21 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.598 1.159 . . . . 0.0 113.811 -166.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.4 m -143.79 171.11 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 C-N-CA 127.311 2.244 . . . . 0.0 111.201 -172.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.05 163.46 27.84 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 172.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 p -65.72 145.74 55.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -140.19 -27.91 0.74 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 127.149 2.18 . . . . 0.0 113.78 171.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.41 168.03 27.96 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 124.551 1.072 . . . . 0.0 114.909 -171.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -151.79 150.21 29.9 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.673 1.189 . . . . 0.0 111.185 164.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m 51.53 35.81 15.41 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 126.046 1.738 . . . . 0.0 115.319 165.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.61 -0.83 68.19 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 125.53 1.538 . . . . 0.0 114.728 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -101.03 158.52 15.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.813 1.645 . . . . 0.0 112.803 171.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.6 mt -134.44 136.58 43.35 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.539 1.536 . . . . 0.0 111.364 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -163.44 156.57 18.83 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.58 1.952 . . . . 0.0 111.334 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -105.82 -2.62 22.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -91.5 -114.64 0.08 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.448 1.499 . . . . 0.0 111.899 171.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -139.9 -20.76 0.89 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.037 1.335 . . . . 0.0 114.247 -173.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 45.37 53.09 8.48 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 127.24 2.216 . . . . 0.0 114.202 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -148.08 -38.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -172.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 158.88 173.05 26.78 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 126.72 2.105 . . . . 0.0 112.138 -177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.4 pt -82.21 -3.62 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -169.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -120.63 -5.76 9.72 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 175.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 m -76.59 136.87 39.25 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.989 1.315 . . . . 0.0 111.643 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.68 127.25 38.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.257 1.423 . . . . 0.0 111.057 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 p -155.34 155.49 33.77 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.214 1.406 . . . . 0.0 112.659 -164.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.58 -144.97 6.51 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 125.391 1.472 . . . . 0.0 112.096 169.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.26 168.72 25.61 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.106 1.362 . . . . 0.0 112.74 173.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.4 m -88.16 143.93 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 C-N-CA 124.394 1.078 . . . . 0.0 113.128 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -64.22 160.59 18.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.233 163.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.05 -17.43 52.33 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 120.798 -1.189 . . . . 0.0 114.133 169.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.82 -19.73 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 127.354 2.262 . . . . 0.0 114.595 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -137.41 170.36 16.21 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.016 2.126 . . . . 0.0 113.919 -176.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.88 153.55 19.8 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 123.989 0.804 . . . . 0.0 114.813 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.4 mt -101.21 139.32 37.06 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.274 1.83 . . . . 0.0 110.998 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 tp -77.03 127.76 33.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.222 0.609 . . . . 0.0 110.248 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.2 m -144.48 162.33 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.299 1.04 . . . . 0.0 112.64 -170.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 ttp180 -146.25 131.33 18.31 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.308 1.443 . . . . 0.0 109.921 164.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.77 123.41 23.27 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 122.899 0.48 . . . . 0.0 110.323 169.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.8 1.94 29.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 125.218 1.407 . . . . 0.0 113.701 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -135.92 13.45 3.37 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.48 9.82 69.47 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 170.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -80.84 -6.1 58.15 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.722 2.261 . . . . 0.0 114.034 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.8 3.34 89.45 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 124.895 1.236 . . . . 0.0 115.835 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.1 pt -135.42 166.79 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.914 1.686 . . . . 0.0 112.736 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -100.13 114.61 39.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 125.575 1.55 . . . . 0.0 109.469 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -147.28 -25.22 0.39 Allowed 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -173.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -87.59 148.04 25.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 120.119 1.327 . . . . 0.0 110.866 172.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.22 -18.61 35.87 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 117.146 1.618 . . . . 0.0 117.146 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.68 -14.08 35.56 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -78.4 -24.5 46.25 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -164.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.0 pt? -89.87 134.31 34.27 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.271 1.028 . . . . 0.0 110.348 161.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.0 m-85 -69.97 107.23 3.5 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 122.953 0.501 . . . . 0.0 111.885 -172.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.91 -171.53 23.97 Favored Glycine 0 C--N 1.341 0.846 0 C-N-CA 125.032 1.301 . . . . 0.0 112.1 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -71.34 1.87 5.62 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -100.22 -14.6 18.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 125.04 1.336 . . . . 0.0 112.902 170.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -68.36 149.53 49.28 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.629 1.172 . . . . 0.0 109.713 163.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -95.31 158.97 15.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.401 1.08 . . . . 0.0 113.513 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.6 mt -79.45 169.88 17.41 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.291 1.436 . . . . 0.0 110.833 162.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.98 -27.4 69.1 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -169.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -88.19 13.28 11.73 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 119.754 1.161 . . . . 0.0 113.943 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.49 1.6 86.61 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 126.016 1.769 . . . . 0.0 115.076 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 m -72.21 161.51 30.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 119.458 1.629 . . . . 0.0 112.487 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -68.82 148.97 49.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.117 0.567 . . . . 0.0 112.353 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.79 148.82 24.49 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 124.856 1.263 . . . . 0.0 111.275 171.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -77.19 -32.48 56.08 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.78 170.25 22.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 127.827 2.451 . . . . 0.0 111.006 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.53 -28.41 73.59 Favored Glycine 0 C--N 1.338 0.664 0 O-C-N 121.109 -0.995 . . . . 0.0 114.564 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -65.37 -41.1 94.15 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.833 1.316 . . . . 0.0 112.045 174.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.27 83.5 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 118.927 0.785 . . . . 0.0 112.554 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.5 81.93 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 tp -70.75 -36.8 73.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.051 0.94 . . . . 0.0 112.914 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.51 -19.41 63.58 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.63 1.345 . . . . 0.0 114.63 -175.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.84 -17.99 64.68 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 172.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.5 mt -94.58 1.21 55.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -74.84 127.04 32.22 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 119.329 0.968 . . . . 0.0 110.908 164.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.9 m -88.71 -15.94 33.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -109.61 -21.78 12.28 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -159.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.66 38.34 57.23 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 123.884 0.754 . . . . 0.0 112.664 -165.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 43.3 p30 -110.08 -0.32 18.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.715 1.206 . . . . 0.0 113.253 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 t30 59.58 23.25 11.95 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 127.147 2.179 . . . . 0.0 115.838 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 30.5 pt -135.69 154.24 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.938 0 C-N-CA 124.482 1.113 . . . . 0.0 112.812 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -103.76 114.56 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -147.07 172.27 14.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.625 1.97 . . . . 0.0 111.369 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.26 -16.08 12.64 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.33 -22.28 60.35 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 171.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -81.48 130.44 35.05 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.908 1.283 . . . . 0.0 111.164 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.141 -1.6 . . . . 0.0 112.865 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.96 -25.82 65.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 171.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -62.91 -25.84 68.51 Favored 'General case' 0 N--CA 1.445 -0.703 0 O-C-N 120.163 -1.585 . . . . 0.0 112.844 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.17 -25.29 36.93 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.571 1.148 . . . . 0.0 113.583 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 p -101.14 -21.05 15.07 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.75 146.79 44.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 112.284 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 83.8 mmt-85 -141.6 170.2 16.16 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 126.933 2.093 . . . . 0.0 110.469 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.9 t -114.89 138.85 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 124.33 1.052 . . . . 0.0 109.158 164.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -118.6 132.44 56.19 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.462 1.028 . . . . 0.0 109.836 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.49 128.07 45.09 Favored 'General case' 0 C--O 1.22 -0.451 0 C-N-CA 124.124 0.969 . . . . 0.0 109.602 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -87.07 79.09 8.79 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.38 1.086 . . . . 0.0 111.251 -172.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.1 -17.38 39.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 125.468 1.507 . . . . 0.0 113.711 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -112.25 4.21 17.62 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.153 1.381 . . . . 0.0 113.734 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 46.46 60.96 2.99 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 126.52 1.928 . . . . 0.0 113.598 169.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -127.73 -16.87 4.64 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.055 1.742 . . . . 0.0 113.764 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.42 5.5 82.2 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 126.149 1.833 . . . . 0.0 115.276 -177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.1 mt -116.52 140.62 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 127.66 2.384 . . . . 0.0 108.733 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.5 t -93.19 138.74 31.32 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -130.08 144.74 51.51 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 126.052 1.741 . . . . 0.0 109.552 174.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -30.13 69.54 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -173.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -73.24 -16.14 61.41 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -86.33 -9.19 56.9 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.533 1.533 . . . . 0.0 113.72 174.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.8 mp -84.41 135.5 34.25 Favored 'General case' 0 N--CA 1.445 -0.68 0 O-C-N 121.361 -0.837 . . . . 0.0 111.793 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -113.7 144.81 42.32 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 128.318 2.647 . . . . 0.0 110.382 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.1 p -76.47 162.58 27.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.95 0.5 . . . . 0.0 111.656 165.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.01 -39.96 94.18 Favored 'General case' 0 C--O 1.222 -0.355 0 O-C-N 121.551 -0.718 . . . . 0.0 111.243 171.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -61.98 -45.32 94.17 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 124.878 1.271 . . . . 0.0 112.603 178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.79 -19.17 63.51 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.397 0.999 . . . . 0.0 113.142 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.2 mt -92.21 -1.79 56.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.976 1.31 . . . . 0.0 113.6 169.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.93 18.72 79.18 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 124.958 1.266 . . . . 0.0 115.457 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 84.4 mt -78.89 124.84 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 119.093 1.446 . . . . 0.0 109.687 -174.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -92.7 -48.71 6.45 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 125.557 1.543 . . . . 0.0 111.697 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.5 p -161.85 161.32 28.91 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 113.015 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.9 mt -107.04 146.52 31.07 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.355 1.462 . . . . 0.0 111.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -93.17 130.85 38.69 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.756 1.222 . . . . 0.0 110.726 170.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.0 mt -86.24 -2.46 58.39 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.36 147.28 23.15 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.721 1.146 . . . . 0.0 112.18 170.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -157.12 170.88 21.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.511 1.524 . . . . 0.0 110.831 -176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -122.92 141.88 51.42 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.021 1.329 . . . . 0.0 110.129 169.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -71.92 127.79 33.69 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 123.596 0.759 . . . . 0.0 110.254 167.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 23.4 m -126.86 -23.74 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.924 1.29 . . . . 0.0 113.161 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.7 m120 50.37 36.66 13.56 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 125.078 1.351 . . . . 0.0 113.993 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -80.84 114.08 19.48 Favored 'General case' 0 CA--C 1.515 -0.371 0 C-N-CA 127.447 2.299 . . . . 0.0 111.132 -165.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -66.43 133.71 50.99 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.859 -0.525 . . . . 0.0 111.175 173.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 92.5 mt -117.9 8.56 12.62 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.94 1.296 . . . . 0.0 113.364 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.62 169.62 26.96 Favored Glycine 0 CA--C 1.523 0.58 0 O-C-N 120.713 -1.242 . . . . 0.0 114.177 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 54.34 28.68 9.68 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.944 1.297 . . . . 0.0 114.232 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.58 3.5 89.66 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.907 1.242 . . . . 0.0 115.932 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -86.17 143.04 28.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 119.639 1.72 . . . . 0.0 112.344 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -142.16 130.19 21.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.045 1.338 . . . . 0.0 109.942 170.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.7 tp -91.76 107.64 19.35 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 168.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -81.36 -47.64 13.01 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -170.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -128.52 139.95 52.05 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.677 1.591 . . . . 0.0 110.377 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -132.09 140.76 48.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.314 1.446 . . . . 0.0 112.363 -175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.72 -152.44 5.83 Favored Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 128.131 2.777 . . . . 0.0 112.188 175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 81.2 p -143.13 170.67 15.3 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -132.97 157.15 45.89 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 127.424 2.289 . . . . 0.0 112.048 170.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 35.9 m -104.05 138.99 39.79 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 125.216 1.406 . . . . 0.0 111.293 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -103.64 155.91 18.19 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 126.099 1.76 . . . . 0.0 114.02 171.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 36.5 p -66.02 -25.43 67.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.899 1.279 . . . . 0.0 113.661 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.3 p30 -78.9 9.8 3.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.728 1.211 . . . . 0.0 114.115 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.45 8.06 87.52 Favored Glycine 0 C--O 1.221 -0.661 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 8.5 m -85.9 144.09 27.86 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.831 1.316 . . . . 0.0 111.753 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 99.7 m -108.92 133.68 52.6 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.625 1.17 . . . . 0.0 110.489 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -134.4 157.39 46.54 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.52 1.528 . . . . 0.0 113.032 -167.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.46 141.31 32.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.559 1.543 . . . . 0.0 112.456 -168.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -150.58 163.69 37.86 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.529 1.132 . . . . 0.0 112.669 168.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.53 173.85 46.46 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 118.179 0.445 . . . . 0.0 114.165 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -87.92 117.56 26.86 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 121.936 -0.744 . . . . 0.0 110.484 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 46.2 tp -110.72 126.93 55.07 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.982 1.713 . . . . 0.0 110.564 -172.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.96 88.24 2.35 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 122.663 1.221 . . . . 0.0 109.632 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.1 pp -116.36 148.79 40.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 127.243 2.217 . . . . 0.0 111.841 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -73.18 128.87 36.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -146.51 166.72 25.6 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.89 1.276 . . . . 0.0 112.241 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -69.54 118.5 12.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.156 -0.965 . . . . 0.0 111.374 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -90.9 138.67 31.42 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.328 1.451 . . . . 0.0 112.011 -171.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 77.7 mt -105.1 -34.01 8.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -172.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -128.72 -2.7 5.35 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -167.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 20.4 m 53.71 21.39 2.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 127.078 2.151 . . . . 0.0 115.873 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 57.84 -172.06 0.1 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 127.633 2.373 . . . . 0.0 115.216 172.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -59.76 137.02 58.17 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.628 1.571 . . . . 0.0 112.059 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 75.5 mt -79.29 153.48 29.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 123.86 0.864 . . . . 0.0 112.154 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.249 1.073 0 C-N-CA 126.528 1.931 . . . . 0.0 112.187 175.268 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 12.9 Cg_exo . . . . . 0 N--CA 1.463 -0.266 0 CA-C-O 118.481 -0.716 . . . . 0.0 112.7 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.01 121.45 12.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.88 0.763 . . . . 0.0 111.351 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.32 145.0 45.44 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.566 2.347 . . . . 0.0 110.84 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.75 136.81 53.14 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.76 1.624 . . . . 0.0 110.362 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.78 110.28 16.96 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 164.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.5 mt -88.29 -24.51 23.16 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -165.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -113.02 -7.8 13.67 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.06 32.98 9.22 Favored Glycine 0 C--N 1.339 0.72 0 O-C-N 120.656 -1.278 . . . . 0.0 115.309 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -131.57 19.67 4.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 119.52 1.66 . . . . 0.0 113.835 174.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.36 154.5 31.02 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 126.59 2.043 . . . . 0.0 114.626 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.3 mt -75.16 120.36 24.6 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 124.773 1.229 . . . . 0.0 109.309 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -120.93 143.81 48.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -171.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -114.85 158.17 22.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.6 167.1 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 126.254 1.822 . . . . 0.0 110.368 170.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.3 142.66 46.81 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 124.322 1.049 . . . . 0.0 110.63 164.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.7 p -142.95 163.21 33.41 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 127.296 2.239 . . . . 0.0 111.281 -173.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.284 0.0 OUTLIER -88.32 31.02 0.83 Allowed 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 120.621 -1.3 . . . . 0.0 114.224 177.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.66 -147.25 43.46 Favored Glycine 0 C--O 1.22 -0.743 0 C-N-CA 123.835 0.731 . . . . 0.0 111.729 -168.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -73.31 -57.24 4.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.045 -0.68 . . . . 0.0 109.573 166.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -154.32 159.48 41.23 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 126.345 1.858 . . . . 0.0 111.108 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.47 153.62 39.63 Favored Glycine 0 C--O 1.237 0.327 0 C-N-CA 124.773 1.178 . . . . 0.0 115.318 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 m -102.59 -21.67 14.12 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 125.953 1.701 . . . . 0.0 112.746 170.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -137.81 158.33 44.58 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 127.669 2.388 . . . . 0.0 110.508 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -62.24 -21.75 65.42 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.711 1.204 . . . . 0.0 113.939 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.52 -26.48 32.01 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 173.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -92.38 3.17 55.97 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -114.88 -28.06 7.18 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.734 1.614 . . . . 0.0 113.42 169.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -49.15 -44.82 43.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 126.901 2.08 . . . . 0.0 115.083 -172.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 p30 -113.05 -15.86 12.74 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.171 0.989 . . . . 0.0 113.307 174.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.56 13.82 61.46 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 118.729 -1.039 . . . . 0.0 114.856 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.6 pt -121.3 -22.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 119.091 1.445 . . . . 0.0 113.395 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -56.16 123.83 15.81 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 119.668 1.122 . . . . 0.0 111.4 173.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.3 p -91.57 164.41 13.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.442 1.097 . . . . 0.0 112.06 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.81 -20.17 3.94 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.815 1.246 . . . . 0.0 114.09 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 p -142.73 131.23 22.38 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 126.017 1.727 . . . . 0.0 111.25 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.66 136.32 13.46 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 160.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -148.0 166.13 28.67 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 118.032 0.916 . . . . 0.0 112.67 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.52 127.59 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 124.995 1.318 . . . . 0.0 109.897 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -55.76 152.4 9.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.424 -0.798 . . . . 0.0 112.338 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.95 -9.8 4.8 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 172.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.8 -28.93 69.81 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.344 1.458 . . . . 0.0 113.306 166.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -129.8 -171.57 2.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 128.675 2.79 . . . . 0.0 112.572 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.92 174.67 38.42 Favored Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 116.344 1.297 . . . . 0.0 116.344 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.74 144.56 30.28 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 126.406 1.882 . . . . 0.0 111.31 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.94 132.33 39.0 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.199 0.6 . . . . 0.0 110.071 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.96 164.44 12.73 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 124.188 0.995 . . . . 0.0 113.034 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -152.16 125.51 8.76 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.378 1.471 . . . . 0.0 110.105 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -77.66 128.88 34.81 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 118.438 0.563 . . . . 0.0 110.004 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -105.44 -6.45 19.48 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.41 -0.85 6.93 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 -177.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.62 38.75 57.12 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -108.75 -3.5 17.73 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 176.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.7 7.08 88.78 Favored Glycine 0 C--N 1.339 0.748 0 C-N-CA 125.201 1.382 . . . . 0.0 115.772 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 pt -133.04 155.34 41.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 119.318 1.559 . . . . 0.0 112.683 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.8 mm -99.91 102.36 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 126.112 1.765 . . . . 0.0 107.776 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -120.29 -3.99 9.97 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -162.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -153.63 160.84 42.52 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.234 1.414 . . . . 0.0 111.83 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.52 -16.87 63.72 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 116.213 1.245 . . . . 0.0 116.213 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.13 -13.1 60.77 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.446 1.123 . . . . 0.0 113.866 173.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -92.38 -7.61 47.24 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.487 1.915 . . . . 0.0 113.409 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 mt -85.19 166.37 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.705 2.002 . . . . 0.0 110.342 160.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 96.6 m-85 -101.09 107.02 18.34 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.99 164.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.48 -167.36 35.04 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 124.443 1.02 . . . . 0.0 113.425 -171.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -70.85 3.16 3.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 116.304 1.964 . . . . 0.0 116.304 -176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -124.0 14.18 9.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 125.503 1.521 . . . . 0.0 111.87 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.3 m -89.41 148.2 23.62 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.264 1.826 . . . . 0.0 110.569 173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.53 148.92 23.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.08 175.7 7.97 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.688 2.395 . . . . 0.0 110.949 168.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -30.46 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -79.77 1.29 27.28 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.983 1.313 . . . . 0.0 113.486 175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.7 0.53 87.99 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.571 1.558 . . . . 0.0 113.967 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.2 p -78.51 161.55 26.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 119.014 1.407 . . . . 0.0 110.916 172.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -87.43 141.89 28.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 120.61 -1.306 . . . . 0.0 112.99 -174.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 137.96 47.82 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 124.677 1.191 . . . . 0.0 111.364 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -70.52 -25.66 63.23 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.472 ' CD2' HE22 ' A' ' 149' ' ' GLN . 9.5 p80 -159.63 171.16 20.1 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 127.111 2.165 . . . . 0.0 111.752 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.95 -26.06 71.11 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -76.63 -38.7 54.25 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 119.164 1.482 . . . . 0.0 112.496 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.0 -32.26 73.9 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 119.155 0.889 . . . . 0.0 111.82 173.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.95 96.44 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.019 0.928 . . . . 0.0 113.18 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -75.24 -32.39 61.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.885 0.874 . . . . 0.0 112.979 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.32 -18.69 59.78 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.776 1.23 . . . . 0.0 114.256 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.7 -22.96 49.18 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.403 1.081 . . . . 0.0 113.754 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.5 mt -103.51 2.53 33.71 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -166.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -75.1 125.17 28.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.377 -0.827 . . . . 0.0 109.939 168.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -91.73 -30.36 16.31 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -109.22 -3.95 16.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -172.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 67.53 62.0 4.66 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.745 1.164 . . . . 0.0 112.011 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -122.81 3.28 9.48 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.34 1.056 . . . . 0.0 113.692 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.5 t30 67.92 20.07 9.32 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.716 1.607 . . . . 0.0 115.161 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.9 pt -135.55 155.54 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 C-N-CA 125.014 1.326 . . . . 0.0 112.583 169.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mm -105.07 119.1 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.494 1.517 . . . . 0.0 109.113 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -152.69 169.21 23.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.785 1.234 . . . . 0.0 111.561 -172.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 -25.2 65.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.16 -14.12 61.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -84.22 134.03 34.56 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 119.842 1.201 . . . . 0.0 112.498 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.88 -29.82 65.35 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -171.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.41 -19.08 58.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.055 1.742 . . . . 0.0 114.691 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -61.07 -33.02 72.66 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.813 1.188 . . . . 0.0 113.025 -169.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.84 -28.77 66.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -86.34 -11.47 52.01 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 93.0 mt -76.35 137.79 40.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 120.816 -1.178 . . . . 0.0 112.538 -173.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -136.95 170.43 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.822 1.649 . . . . 0.0 110.683 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.8 t -123.05 134.37 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.763 1.225 . . . . 0.0 109.171 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -102.49 124.85 48.78 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.975 1.31 . . . . 0.0 109.764 174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -117.7 102.2 8.95 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.572 1.549 . . . . 0.0 108.262 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.04 111.63 12.82 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.359 -0.838 . . . . 0.0 109.572 -175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.5 mt -73.05 -11.01 60.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.69 1.196 . . . . 0.0 113.263 -170.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -113.87 -8.29 13.15 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 126.263 1.825 . . . . 0.0 113.477 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.93 33.29 11.36 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 126.484 1.913 . . . . 0.0 113.883 -172.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.4 p30 -92.1 -6.99 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.65 22.36 72.6 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 124.124 0.869 . . . . 0.0 114.774 173.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -121.96 122.11 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 C-N-CA 126.826 2.051 . . . . 0.0 107.788 174.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -87.76 139.75 30.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.862 0.865 . . . . 0.0 113.04 -170.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -129.71 154.11 47.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.378 1.471 . . . . 0.0 109.641 169.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.46 69.07 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -71.1 -8.47 53.66 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.18 -8.4 36.38 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.362 1.465 . . . . 0.0 112.798 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.4 mt -89.54 151.29 22.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.27 1.028 . . . . 0.0 110.944 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -133.14 146.41 51.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.292 1.837 . . . . 0.0 110.533 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.5 p -69.18 155.14 40.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.222 1.009 . . . . 0.0 111.153 165.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.5 mt -66.91 -28.66 68.49 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 120.809 -1.182 . . . . 0.0 110.943 165.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.18 -46.86 87.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.794 1.238 . . . . 0.0 112.566 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.6 -19.15 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.08 -13.71 43.5 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 124.631 1.172 . . . . 0.0 112.462 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 67.66 42.27 87.93 Favored Glycine 0 C--N 1.345 1.03 0 C-N-CA 124.755 1.169 . . . . 0.0 113.223 -177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.69 130.84 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.153 0.981 . . . . 0.0 109.566 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.03 -45.41 5.95 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 126.126 1.77 . . . . 0.0 112.175 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.0 p -160.05 166.48 29.85 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.843 1.257 . . . . 0.0 111.857 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 mp -127.65 144.7 51.05 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -84.32 143.3 29.59 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.036 0.935 . . . . 0.0 113.323 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 76.3 mt -100.65 -3.46 30.31 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.392 1.477 . . . . 0.0 112.627 163.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.93 122.83 26.03 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.62 1.168 . . . . 0.0 110.648 164.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -137.27 164.25 29.0 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.712 1.605 . . . . 0.0 113.332 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -128.16 139.54 52.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.186 2.195 . . . . 0.0 110.114 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -74.12 125.52 28.52 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 118.774 0.716 . . . . 0.0 109.242 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.52 -29.98 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 49.12 39.68 15.78 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 126.253 1.821 . . . . 0.0 114.412 173.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -75.18 131.18 40.26 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.137 1.375 . . . . 0.0 111.345 -174.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -84.41 114.7 22.09 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 119.583 1.083 . . . . 0.0 109.48 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.31 17.41 12.87 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.766 1.226 . . . . 0.0 113.778 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.41 170.05 41.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 124.674 1.13 . . . . 0.0 113.315 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 52.5 26.7 4.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.633 1.973 . . . . 0.0 114.83 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.55 9.86 82.64 Favored Glycine 0 C--N 1.344 1.002 0 C-N-CA 126.085 1.803 . . . . 0.0 116.434 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -102.26 140.98 35.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.021 1.41 . . . . 0.0 112.363 -172.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 47.9 m -128.83 117.44 21.05 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.886 0.875 . . . . 0.0 112.394 -173.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.5 tp -80.06 97.45 6.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.301 1.44 . . . . 0.0 108.961 173.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.46 -55.82 10.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.238 0.615 . . . . 0.0 112.626 -172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.472 HE22 ' CD2' ' A' ' 76' ' ' HIS . 35.0 mt-30 -131.32 142.75 50.15 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.974 1.31 . . . . 0.0 110.226 -178.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -135.53 141.43 45.24 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.939 1.296 . . . . 0.0 112.116 -168.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.65 -149.78 5.2 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 127.319 2.39 . . . . 0.0 111.627 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 66.6 m -138.05 166.17 24.76 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 123.948 0.899 . . . . 0.0 113.337 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -131.34 162.57 29.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.003 1.721 . . . . 0.0 110.533 165.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.4 m -116.87 140.62 49.24 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.077 1.351 . . . . 0.0 110.722 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -99.49 159.86 14.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.661 1.584 . . . . 0.0 111.819 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 40.8 p -68.45 -14.79 63.25 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.9 p30 -82.05 6.41 16.34 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 166.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.61 -3.86 85.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 125.692 1.615 . . . . 0.0 115.974 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 54.8 p -76.88 153.89 34.3 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 119.205 1.502 . . . . 0.0 113.264 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 2.8 m -111.97 139.2 47.66 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.455 1.502 . . . . 0.0 110.15 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.55 157.6 45.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.833 1.653 . . . . 0.0 111.69 -164.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -93.92 145.64 24.48 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -167.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -153.99 164.58 38.2 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.743 1.217 . . . . 0.0 112.86 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.9 171.82 44.37 Favored Glycine 0 N--CA 1.439 -1.122 0 O-C-N 121.246 -0.909 . . . . 0.0 114.896 173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -82.96 105.2 13.76 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 124.517 1.127 . . . . 0.0 111.104 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 51.5 tp -97.43 114.17 25.97 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.888 1.675 . . . . 0.0 110.855 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 40.9 mt -75.34 130.03 38.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.054 1.341 . . . . 0.0 108.768 169.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 73.8 mt -103.33 148.28 26.05 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.724 1.21 . . . . 0.0 112.053 -169.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -85.79 148.64 25.74 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 123.917 0.887 . . . . 0.0 113.352 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -156.32 140.61 16.61 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.518 1.127 . . . . 0.0 112.809 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -85.95 129.17 34.92 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.076 1.351 . . . . 0.0 112.489 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -60.8 -29.05 69.22 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 118.127 -0.939 . . . . 0.0 113.39 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 21.5 mt -76.44 5.64 6.93 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 120.033 1.288 . . . . 0.0 114.245 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -125.84 -50.07 1.6 Allowed 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.548 1.539 . . . . 0.0 111.887 173.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 93.8 p -65.67 -33.02 74.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -175.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -87.7 -4.64 58.9 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.03 1.332 . . . . 0.0 113.849 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -117.01 83.77 2.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.593 1.957 . . . . 0.0 110.788 -170.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 76.5 mt -121.62 20.98 10.99 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.899 2.08 . . . . 0.0 113.008 -169.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.586 1.555 . . . . 0.0 111.887 176.286 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo . . . . . 0 CA--C 1.519 -0.27 0 N-CA-C 112.908 0.311 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.33 125.98 28.35 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.47 148.96 42.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 127.22 2.208 . . . . 0.0 111.856 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 mp -119.45 139.6 51.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 127.249 2.22 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -82.51 100.33 10.03 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.43 1.492 . . . . 0.0 110.66 169.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.25 95.4 mt -91.44 -19.66 22.61 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -168.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -100.25 -8.63 23.27 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 121.071 1.759 . . . . 0.0 114.338 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.92 27.76 15.64 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 116.445 1.338 . . . . 0.0 116.445 165.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.2 p30 -123.0 15.35 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 119.288 1.544 . . . . 0.0 114.446 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.23 154.03 28.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 126.696 2.094 . . . . 0.0 113.104 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.67 135.75 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 121.244 -1.151 . . . . 0.0 110.216 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -129.95 152.9 48.91 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.389 1.476 . . . . 0.0 113.351 -175.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.6 p -137.07 151.1 48.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.6 1.56 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -141.76 139.35 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 125.473 1.509 . . . . 0.0 110.39 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -109.73 148.29 31.66 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 124.301 1.04 . . . . 0.0 111.583 162.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.6 m -68.05 122.78 18.98 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 121.105 -0.997 . . . . 0.0 111.257 -170.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.8 mttt 56.47 16.59 2.55 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 126.952 2.101 . . . . 0.0 114.411 -169.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.33 148.28 51.03 Favored Glycine 0 C--N 1.334 0.426 0 O-C-N 121.271 -0.893 . . . . 0.0 112.833 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -147.98 4.51 0.74 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.045 0.938 . . . . 0.0 113.511 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -63.0 -34.31 77.29 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 120.719 -1.238 . . . . 0.0 113.123 -168.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.62 -27.41 70.94 Favored Glycine 0 C--O 1.224 -0.483 0 CA-C-N 119.161 0.891 . . . . 0.0 114.17 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -83.64 6.52 20.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.485 1.514 . . . . 0.0 113.846 171.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.99 -42.56 2.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.364 1.465 . . . . 0.0 112.704 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -151.33 170.58 19.19 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.975 1.31 . . . . 0.0 113.0 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -55.74 111.02 0.81 Allowed 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.356 1.862 . . . . 0.0 113.445 -174.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -61.85 -19.37 62.53 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -67.77 -27.19 66.55 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.693 -1.254 . . . . 0.0 112.286 173.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -82.37 -11.8 58.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.077 1.351 . . . . 0.0 112.996 174.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -110.84 -9.25 14.47 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 126.044 1.738 . . . . 0.0 113.756 -177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.73 -11.96 58.57 Favored Glycine 0 N--CA 1.445 -0.716 0 O-C-N 121.092 -1.005 . . . . 0.0 115.286 177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 tp -85.38 -16.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 119.309 1.554 . . . . 0.0 113.482 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.8 ptt85 -68.81 175.29 3.69 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.472 1.509 . . . . 0.0 112.885 166.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.6 p -62.49 143.53 57.04 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.626 1.171 . . . . 0.0 113.348 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.99 128.94 37.32 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -169.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -129.77 -14.15 4.09 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 125.315 1.446 . . . . 0.0 114.219 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.67 168.13 41.38 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-N 119.829 1.195 . . . . 0.0 113.894 166.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -126.12 168.74 13.59 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.455 1.502 . . . . 0.0 111.155 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.07 137.5 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.887 0.875 . . . . 0.0 111.82 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 t -62.45 152.6 33.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.354 1.062 . . . . 0.0 113.12 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.34 -22.08 65.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.09 -8.09 59.21 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -118.15 -173.67 2.5 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.861 2.465 . . . . 0.0 111.907 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.16 179.63 39.59 Favored Glycine 0 CA--C 1.528 0.904 0 O-C-N 120.062 -1.649 . . . . 0.0 114.759 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.0 mt -114.21 143.88 44.11 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.751 1.621 . . . . 0.0 112.186 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.9 tp -81.7 127.34 32.82 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 123.979 0.912 . . . . 0.0 109.829 169.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.93 159.35 14.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 124.3 1.04 . . . . 0.0 112.462 -168.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -154.28 131.58 11.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.229 1.012 . . . . 0.0 111.715 169.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -70.67 124.98 25.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.591 1.157 . . . . 0.0 112.281 173.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.8 mt -107.18 -3.38 19.91 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.568 . . . . 0.0 114.764 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -127.06 17.66 7.21 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.09 25.36 75.48 Favored Glycine 0 C--N 1.342 0.863 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 167.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -106.17 -4.46 20.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.341 1.456 . . . . 0.0 114.342 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.89 -3.71 74.22 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 125.824 1.678 . . . . 0.0 115.961 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.23 165.97 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.075 1.75 . . . . 0.0 112.163 -175.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -105.85 106.91 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 125.602 1.561 . . . . 0.0 108.944 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -144.83 13.22 1.48 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -169.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -137.83 142.72 40.78 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.427 1.091 . . . . 0.0 111.226 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.18 -15.78 45.76 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 116.863 1.505 . . . . 0.0 116.863 -173.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.9 -15.54 34.12 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 118.82 1.31 . . . . 0.0 114.023 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -75.86 -22.94 55.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.671 1.188 . . . . 0.0 112.201 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.95 129.81 35.78 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.927 1.291 . . . . 0.0 108.242 160.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -66.5 108.07 2.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 118.34 0.518 . . . . 0.0 112.198 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.84 -166.43 21.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 124.505 1.05 . . . . 0.0 113.392 -171.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -79.77 6.17 11.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.753 1.221 . . . . 0.0 114.188 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.78 -5.77 19.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.271 1.428 . . . . 0.0 113.111 165.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.7 m -77.81 144.7 36.87 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.409 1.483 . . . . 0.0 110.033 165.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -98.13 159.87 14.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.53 170.86 9.83 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 128.229 2.612 . . . . 0.0 110.531 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.79 -20.46 65.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -170.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -87.49 1.64 52.92 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 125.759 1.624 . . . . 0.0 113.137 173.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 -1.34 88.92 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 125.504 1.526 . . . . 0.0 116.285 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -68.21 155.4 39.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.55 1.675 . . . . 0.0 111.848 166.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -76.77 145.54 38.49 Favored 'General case' 0 N--CA 1.441 -0.917 0 O-C-N 121.357 -0.839 . . . . 0.0 111.085 173.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.86 154.55 39.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.612 -0.68 . . . . 0.0 112.824 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.42 -47.4 72.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.562 1.545 . . . . 0.0 110.996 167.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.3 172.15 17.11 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 127.443 2.297 . . . . 0.0 110.178 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.94 -27.62 62.4 Favored Glycine 0 CA--C 1.527 0.824 0 O-C-N 121.178 -0.951 . . . . 0.0 115.124 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -68.28 -37.44 80.69 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 118.38 1.09 . . . . 0.0 113.293 174.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.98 73.74 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 121.526 -0.734 . . . . 0.0 112.239 173.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.83 76.42 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 173.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.16 -40.96 43.61 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.197 1.399 . . . . 0.0 112.54 175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.03 -23.44 65.9 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.37 -22.55 61.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.744 1.217 . . . . 0.0 112.976 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.5 mt -91.06 -5.8 54.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.097 1.359 . . . . 0.0 114.468 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -73.02 124.87 26.35 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 119.413 1.006 . . . . 0.0 110.255 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.1 p -81.15 -17.43 49.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.654 1.182 . . . . 0.0 114.041 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -111.51 -24.92 9.86 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -167.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.27 28.84 73.56 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 118.655 0.662 . . . . 0.0 113.281 -158.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -90.06 7.33 38.29 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.528 1.131 . . . . 0.0 112.61 -175.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 63.88 25.28 13.96 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.933 2.093 . . . . 0.0 114.48 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.3 pt -143.76 152.55 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 125.258 1.423 . . . . 0.0 113.022 170.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.6 123.07 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -151.4 175.92 11.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.494 1.918 . . . . 0.0 111.284 -172.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.99 -16.17 16.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -175.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.64 65.97 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 120.355 1.434 . . . . 0.0 114.305 168.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -92.97 139.51 30.45 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.441 1.496 . . . . 0.0 111.893 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -31.76 70.11 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.032 -1.043 . . . . 0.0 113.316 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.48 66.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.66 -25.67 68.25 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.791 1.178 . . . . 0.0 113.191 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -91.57 -19.61 22.56 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 172.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.7 p -97.49 -25.43 15.18 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 121.43 1.923 . . . . 0.0 114.844 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.35 151.47 40.74 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.344 1.457 . . . . 0.0 112.011 171.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -136.54 166.71 22.87 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.718 1.607 . . . . 0.0 110.337 172.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.6 t -123.9 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 125.055 1.342 . . . . 0.0 108.911 172.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -120.93 127.95 52.31 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.709 1.203 . . . . 0.0 112.045 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -116.39 108.86 16.58 Favored 'General case' 0 CA--C 1.516 -0.351 0 C-N-CA 125.166 1.386 . . . . 0.0 109.957 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -81.71 72.41 8.76 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.958 0.903 . . . . 0.0 111.426 -176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.19 -24.34 67.15 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -105.98 8.75 32.6 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 172.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 54.78 61.15 3.1 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 126.403 1.881 . . . . 0.0 114.153 164.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -133.98 -1.03 3.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.16 67.64 Favored Glycine 0 CA--C 1.527 0.781 0 O-C-N 120.629 -1.295 . . . . 0.0 115.998 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 79.1 mt -97.21 137.83 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-N 119.47 1.635 . . . . 0.0 109.101 174.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.8 p -94.84 149.95 20.7 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.901 1.28 . . . . 0.0 112.454 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -138.38 158.95 43.28 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 126.654 1.982 . . . . 0.0 110.527 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.2 74.76 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.344 -0.847 . . . . 0.0 113.185 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -77.25 -7.39 55.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 174.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -100.49 -17.7 17.02 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.163 1.385 . . . . 0.0 113.666 170.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 27.9 mt -84.85 152.47 23.58 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 125.391 1.477 . . . . 0.0 112.057 174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -143.61 151.18 39.85 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.393 2.277 . . . . 0.0 111.513 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.4 p -73.74 162.91 28.64 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 125.035 1.334 . . . . 0.0 111.513 159.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.11 -35.57 74.21 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 121.411 -0.806 . . . . 0.0 110.615 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.1 -39.88 82.72 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.583 0.753 . . . . 0.0 113.021 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.34 -23.04 61.09 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 92.9 mt -78.2 -1.39 32.59 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.562 1.545 . . . . 0.0 113.631 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.41 26.05 71.18 Favored Glycine 0 C--O 1.219 -0.785 0 C-N-CA 124.97 1.271 . . . . 0.0 114.85 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 68.8 mt -82.21 133.2 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 118.658 1.229 . . . . 0.0 109.933 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -97.42 -39.94 8.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.408 1.483 . . . . 0.0 111.932 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.3 p -157.92 154.42 27.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 38.7 mt -100.1 135.75 41.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.238 1.415 . . . . 0.0 109.122 165.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.39 143.46 30.29 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 119.046 0.839 . . . . 0.0 112.525 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -106.85 3.99 26.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.193 1.397 . . . . 0.0 113.957 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -91.24 135.2 33.96 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 111.197 162.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -159.05 161.42 36.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.135 1.374 . . . . 0.0 111.461 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -125.42 146.87 49.42 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.564 1.946 . . . . 0.0 110.758 -176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -74.22 129.59 38.11 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.541 0.736 . . . . 0.0 109.84 171.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.1 m -131.11 -20.79 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.6 m120 48.22 35.77 5.9 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -91.97 122.47 34.52 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.411 1.484 . . . . 0.0 112.434 -164.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -84.93 138.33 32.57 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 111.938 -175.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.58 17.78 9.61 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 125.39 1.476 . . . . 0.0 114.572 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.24 172.05 5.43 Favored Glycine 0 C--N 1.333 0.416 0 O-C-N 120.213 -1.555 . . . . 0.0 113.354 -168.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 50.34 32.64 6.53 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.026 1.73 . . . . 0.0 114.319 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 62.58 11.69 36.61 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 117.223 1.649 . . . . 0.0 117.223 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -84.33 138.72 32.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 118.589 1.195 . . . . 0.0 110.488 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.7 m -139.96 138.17 35.32 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.119 0.968 . . . . 0.0 110.572 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.7 tp -93.4 108.3 19.99 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.772 1.629 . . . . 0.0 108.553 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.19 18.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -129.27 141.99 50.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 126.812 2.045 . . . . 0.0 109.949 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -137.01 136.2 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 120.113 1.324 . . . . 0.0 113.451 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.79 -148.47 5.48 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 127.673 2.559 . . . . 0.0 111.166 168.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.0 m -139.0 168.72 19.2 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.812 1.245 . . . . 0.0 113.799 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -130.05 156.18 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.287 1.435 . . . . 0.0 110.341 159.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 92.1 m -116.91 141.11 48.66 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 125.489 1.515 . . . . 0.0 110.055 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.51 165.56 11.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.113 1.365 . . . . 0.0 113.496 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.1 p -66.23 -14.43 61.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -93.11 1.02 57.39 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.59 1.556 . . . . 0.0 114.933 170.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.9 -0.86 86.63 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 117.835 -1.536 . . . . 0.0 115.495 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 55.7 p -74.77 159.91 31.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 119.835 1.817 . . . . 0.0 112.244 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 48.9 p -124.31 155.55 38.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.813 1.245 . . . . 0.0 111.965 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.86 164.72 32.8 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 123.996 0.919 . . . . 0.0 111.54 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -71.68 148.95 45.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.097 0.959 . . . . 0.0 112.982 -173.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.4 159.51 43.61 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.137 0.975 . . . . 0.0 110.724 157.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.53 174.32 46.07 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 121.698 -0.626 . . . . 0.0 114.236 -177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -92.78 112.11 23.95 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.821 0.848 . . . . 0.0 111.923 -176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 67.8 tp -112.52 136.18 52.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.951 2.1 . . . . 0.0 112.024 -169.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.75 126.73 32.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.572 0.749 . . . . 0.0 112.137 171.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 87.9 mt -116.35 150.5 37.6 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 127.889 2.476 . . . . 0.0 113.153 -169.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.1 155.94 19.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 169.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -109.45 149.91 28.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.554 1.542 . . . . 0.0 112.725 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.2 155.3 19.12 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.449 1.5 . . . . 0.0 110.132 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.73 -28.15 69.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 120.766 -1.209 . . . . 0.0 112.933 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 85.2 mt -137.62 -38.38 0.59 Allowed 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -82.63 146.13 29.28 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 125.804 1.642 . . . . 0.0 113.637 -167.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 70.6 m 45.85 39.71 5.74 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -83.89 156.6 22.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.566 1.546 . . . . 0.0 113.447 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -80.25 -164.46 0.69 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.433 1.493 . . . . 0.0 112.529 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.52 134.84 49.34 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.939 -1.101 . . . . 0.0 110.412 168.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.252 1.205 0 C-N-CA 125.13 1.372 . . . . 0.0 111.206 179.314 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 9.4 Cg_exo . . . . . 0 N--CA 1.465 -0.153 0 N-CA-C 113.272 0.451 . . . . 0.0 113.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.98 132.64 47.67 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -175.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.97 150.12 50.31 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.579 1.952 . . . . 0.0 112.283 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -115.24 133.08 56.36 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.953 2.101 . . . . 0.0 110.664 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -80.3 105.25 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.384 1.073 . . . . 0.0 110.318 169.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.75 -35.82 29.24 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -165.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -106.29 -2.18 22.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.954 1.301 . . . . 0.0 114.328 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.49 10.84 82.88 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-O 118.477 -1.18 . . . . 0.0 115.947 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -85.34 -4.4 59.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 120.367 2.083 . . . . 0.0 113.298 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.2 166.06 13.3 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 126.36 1.933 . . . . 0.0 114.396 173.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.35 124.01 33.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -141.61 146.97 36.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.354 1.462 . . . . 0.0 113.35 -163.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -127.35 162.59 25.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.272 1.429 . . . . 0.0 112.236 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.38 150.4 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 126.457 1.903 . . . . 0.0 110.621 173.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.71 -14.28 62.34 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -166.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 t -152.99 151.84 30.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.187 -0.946 . . . . 0.0 112.823 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -81.01 143.99 32.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 126.697 1.999 . . . . 0.0 110.572 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' HA3' ' CG ' ' A' ' 19' ' ' PHE . . . 66.24 -166.06 38.19 Favored Glycine 0 C--N 1.343 0.954 0 C-N-CA 124.914 1.245 . . . . 0.0 115.541 169.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CG ' ' HA3' ' A' ' 18' ' ' GLY . 60.0 m-85 -143.86 64.29 1.33 Allowed 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 129.711 3.205 . . . . 0.0 109.872 0.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -61.32 114.18 3.04 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.303 1.441 . . . . 0.0 112.524 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.16 -3.69 5.42 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 125.639 1.59 . . . . 0.0 116.11 -173.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -119.75 -3.22 10.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.73 1.612 . . . . 0.0 114.54 -166.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 tp -56.75 125.35 21.95 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.675 1.59 . . . . 0.0 113.636 -169.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -101.7 145.46 29.08 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 125.732 1.613 . . . . 0.0 111.726 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -84.56 -5.21 59.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -166.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -133.67 165.22 25.44 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 126.396 1.878 . . . . 0.0 111.276 175.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -83.51 143.9 29.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.006 -1.059 . . . . 0.0 110.26 160.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -88.03 -14.12 39.82 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -174.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.49 68.72 1.43 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.095 1.758 . . . . 0.0 110.751 -165.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.88 -142.78 45.63 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.232 0.92 . . . . 0.0 112.471 -174.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.2 mm -111.45 134.04 55.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 125.322 1.449 . . . . 0.0 109.289 168.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -86.87 152.9 22.06 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.488 1.115 . . . . 0.0 113.381 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.0 p -110.76 2.36 18.35 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 126.707 2.003 . . . . 0.0 113.536 172.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.74 143.93 47.44 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.345 1.458 . . . . 0.0 111.642 167.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.6 m -130.5 -37.09 1.41 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.816 1.246 . . . . 0.0 112.399 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.62 162.52 54.32 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.32 0.962 . . . . 0.0 115.07 -173.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -138.66 171.45 14.34 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 125.287 1.435 . . . . 0.0 112.289 -170.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.8 137.35 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 O-C-N 121.122 -0.986 . . . . 0.0 110.535 177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -59.67 146.46 41.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.853 0.861 . . . . 0.0 112.67 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.63 -18.23 62.22 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -170.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -78.12 -7.81 57.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.732 1.613 . . . . 0.0 113.568 173.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -113.95 159.18 20.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.053 1.741 . . . . 0.0 113.002 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -113.63 134.0 11.57 Favored Glycine 0 N--CA 1.446 -0.674 0 O-C-N 121.51 -0.743 . . . . 0.0 113.3 -172.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.8 mt -82.16 129.62 34.87 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 117.689 0.744 . . . . 0.0 108.997 167.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -77.53 126.1 30.36 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.331 0.652 . . . . 0.0 109.854 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.5 m -146.47 166.51 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 124.791 1.236 . . . . 0.0 112.403 -168.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -147.79 138.66 23.32 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.794 1.638 . . . . 0.0 110.89 169.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.59 119.22 24.46 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 118.444 0.565 . . . . 0.0 110.868 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.3 mt -94.41 -13.35 26.36 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 125.125 1.37 . . . . 0.0 114.548 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -128.42 10.8 6.26 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.4 9.25 85.95 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 116.399 1.319 . . . . 0.0 116.399 167.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -81.96 -2.22 50.72 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 119.423 1.611 . . . . 0.0 114.447 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.37 6.45 89.25 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.414 1.483 . . . . 0.0 116.084 175.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.0 pt -138.26 166.41 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 C-N-CA 125.848 1.659 . . . . 0.0 112.619 -174.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.8 mm -102.53 114.91 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 C-N-CA 125.802 1.641 . . . . 0.0 109.842 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -145.11 3.89 1.06 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 115.216 1.561 . . . . 0.0 115.216 -169.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -138.48 138.1 37.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.704 2.001 . . . . 0.0 109.326 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.87 -18.84 19.42 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.36 -14.29 62.14 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 171.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -88.37 -17.15 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.857 1.663 . . . . 0.0 113.506 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.17 162.88 23.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.035 1.734 . . . . 0.0 109.694 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 40.0 m-85 -95.17 106.63 18.67 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.234 -1.541 . . . . 0.0 110.761 174.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.02 -155.23 13.71 Favored Glycine 0 C--O 1.239 0.454 0 C-N-CA 125.511 1.529 . . . . 0.0 113.085 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -69.4 -10.83 59.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -167.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -75.16 -21.78 58.55 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 120.459 -1.401 . . . . 0.0 112.948 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -74.42 136.43 42.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 119.316 0.962 . . . . 0.0 112.29 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -98.79 137.03 37.97 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 125.553 1.541 . . . . 0.0 110.913 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.0 mt -90.98 158.33 16.77 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 127.033 2.133 . . . . 0.0 110.75 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.01 -10.99 55.62 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -88.48 1.92 53.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.859 1.664 . . . . 0.0 113.343 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.08 -8.83 78.94 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.132 1.349 . . . . 0.0 115.575 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 m -74.65 159.07 32.57 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 118.906 1.353 . . . . 0.0 112.027 172.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -89.07 154.22 20.36 Favored 'General case' 0 N--CA 1.445 -0.725 0 O-C-N 120.731 -1.231 . . . . 0.0 110.728 163.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.71 138.94 55.33 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.023 0.529 . . . . 0.0 111.979 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -80.09 -29.59 39.08 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.978 0.911 . . . . 0.0 112.94 173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.31 168.55 25.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.432 1.893 . . . . 0.0 112.038 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.92 -27.4 68.59 Favored Glycine 0 C--N 1.338 0.642 0 C-N-CA 123.843 0.735 . . . . 0.0 114.22 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -69.65 -42.5 74.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.605 1.203 . . . . 0.0 112.514 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.97 -35.26 80.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.484 1.038 . . . . 0.0 112.587 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.28 96.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.666 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.04 -35.43 56.87 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.182 -0.949 . . . . 0.0 113.216 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.26 -16.03 61.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -62.85 -24.5 67.82 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 121.134 -0.979 . . . . 0.0 113.455 171.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.5 mt -93.32 -9.42 38.93 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -166.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -66.28 119.53 11.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 118.509 0.595 . . . . 0.0 109.529 170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -93.62 -27.65 16.47 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -109.62 -12.13 14.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.82 46.79 9.2 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-N 119.276 0.944 . . . . 0.0 114.141 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.6 p30 -104.55 2.88 31.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.612 1.565 . . . . 0.0 112.788 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.7 t30 62.02 25.84 15.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.886 2.074 . . . . 0.0 114.307 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.3 pt -132.24 153.44 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 168.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.9 mm -100.27 117.54 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 166.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -144.67 172.73 12.58 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.556 1.542 . . . . 0.0 111.208 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.57 -15.35 26.86 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 -172.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.51 -12.99 59.85 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -85.3 133.52 34.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 120.272 -1.518 . . . . 0.0 111.424 164.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -31.26 68.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 120.732 -1.23 . . . . 0.0 113.913 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.95 -23.23 67.26 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.18 -29.48 68.72 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 120.362 1.437 . . . . 0.0 113.529 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -81.36 -17.52 48.78 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.502 1.121 . . . . 0.0 113.915 174.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.1 m -95.48 -27.33 15.44 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.601 1.56 . . . . 0.0 113.441 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 mt -62.86 142.38 58.28 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.513 1.125 . . . . 0.0 111.529 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -138.96 164.55 29.43 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 126.597 1.959 . . . . 0.0 109.985 175.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.92 129.9 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.84 1.256 . . . . 0.0 108.625 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -118.69 134.09 55.38 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.427 1.091 . . . . 0.0 112.847 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -121.86 114.82 21.58 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.327 1.851 . . . . 0.0 110.52 174.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -78.51 75.5 5.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.767 -1.208 . . . . 0.0 111.807 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.1 -44.49 67.66 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.127 1.371 . . . . 0.0 114.04 -166.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -89.4 -7.95 54.11 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.981 1.312 . . . . 0.0 114.43 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 55.57 56.72 5.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 125.577 1.551 . . . . 0.0 112.85 -175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.0 p30 -94.79 -9.17 35.35 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 120.009 -1.682 . . . . 0.0 113.301 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.68 2.19 90.61 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.652 1.12 . . . . 0.0 114.26 -173.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -119.02 145.01 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 126.695 1.998 . . . . 0.0 109.996 -169.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 t -94.99 134.84 37.22 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.296 1.038 . . . . 0.0 111.272 174.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.6 mp0 -130.35 145.14 51.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.703 1.601 . . . . 0.0 108.341 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.71 -27.52 67.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -166.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -67.47 -17.65 64.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 175.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -89.84 -7.95 53.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.867 1.667 . . . . 0.0 114.327 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -87.13 152.66 22.15 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.028 0.931 . . . . 0.0 110.389 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -136.01 148.03 48.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 127.257 2.223 . . . . 0.0 110.944 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.7 p -68.52 161.12 28.53 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.699 1.2 . . . . 0.0 111.054 164.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.36 -38.57 84.99 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.764 -0.585 . . . . 0.0 110.495 170.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -63.27 -42.44 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.251 1.42 . . . . 0.0 112.859 -177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.94 -14.37 60.63 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.0 6.58 45.84 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.496 1.519 . . . . 0.0 112.643 168.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.02 15.8 76.48 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 124.271 0.938 . . . . 0.0 115.264 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.6 mt -78.69 132.61 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 118.687 1.243 . . . . 0.0 109.304 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -99.22 -41.42 7.49 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 125.561 1.544 . . . . 0.0 111.474 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 99.8 p -158.34 161.12 37.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.533 1.133 . . . . 0.0 112.857 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.5 mt -110.91 139.19 46.44 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 126.344 1.858 . . . . 0.0 109.1 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -89.38 136.98 32.72 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.528 0.731 . . . . 0.0 111.38 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.08 -8.2 46.51 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -77.62 137.52 38.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 119.1 0.864 . . . . 0.0 111.287 168.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -147.02 168.8 20.63 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.35 1.06 . . . . 0.0 112.127 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -121.14 132.93 55.14 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.924 2.09 . . . . 0.0 109.766 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -69.23 130.44 42.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 122.729 0.412 . . . . 0.0 110.963 167.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 16.1 m -137.54 -34.42 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.35 44.16 12.39 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 114.426 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -73.81 118.36 16.68 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.732 1.213 . . . . 0.0 111.614 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.45 120.42 20.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.414 1.086 . . . . 0.0 112.476 177.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.4 -1.57 21.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -171.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 83.69 168.04 42.95 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 125.121 1.343 . . . . 0.0 114.5 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 49.02 31.17 3.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 127.226 2.211 . . . . 0.0 114.286 -176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 76.03 16.12 80.9 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 125.796 1.665 . . . . 0.0 115.929 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -99.0 147.24 25.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 119.47 1.635 . . . . 0.0 112.119 170.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -142.94 139.95 30.92 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.202 1.401 . . . . 0.0 109.324 173.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.0 101.45 12.93 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.12 0.968 . . . . 0.0 108.611 166.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -79.08 -54.09 6.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 123.591 0.756 . . . . 0.0 113.017 -170.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -127.46 138.85 53.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 126.19 1.796 . . . . 0.0 108.504 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -128.39 138.18 52.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.875 1.27 . . . . 0.0 111.499 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -151.42 -155.41 6.96 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 125.739 1.638 . . . . 0.0 111.778 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.8 p -134.99 165.86 24.37 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -135.38 156.82 48.3 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.609 1.964 . . . . 0.0 110.345 165.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 77.7 m -114.67 133.83 55.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.824 0.85 . . . . 0.0 109.838 -175.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.75 154.5 17.27 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 125.494 1.518 . . . . 0.0 111.624 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -66.08 -22.43 66.41 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.473 -1.392 . . . . 0.0 113.482 -176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.2 p30 -77.36 2.04 17.12 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 170.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.44 85.05 Favored Glycine 0 C--N 1.337 0.638 0 N-CA-C 116.738 1.455 . . . . 0.0 116.738 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 59.6 m -70.42 143.38 51.85 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.725 1.262 . . . . 0.0 111.498 172.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 7.4 m -105.46 135.69 46.39 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.911 1.285 . . . . 0.0 108.98 168.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -137.22 162.65 32.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 125.49 1.516 . . . . 0.0 111.495 -171.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -97.43 144.7 26.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.696 1.198 . . . . 0.0 113.854 -165.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.2 ptm -150.07 167.54 26.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.676 1.191 . . . . 0.0 111.949 172.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 176.36 -179.1 47.59 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.048 -1.033 . . . . 0.0 114.623 173.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -92.27 104.77 17.09 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 124.596 1.158 . . . . 0.0 110.331 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.96 121.33 32.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 124.904 1.282 . . . . 0.0 110.605 174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.01 121.17 23.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.939 0.496 . . . . 0.0 112.132 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 81.6 mt -116.12 152.3 33.93 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 127.995 2.518 . . . . 0.0 112.169 -174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -69.61 133.21 47.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 123.748 0.819 . . . . 0.0 112.041 165.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -84.76 160.53 20.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.854 1.262 . . . . 0.0 112.26 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -100.5 161.82 13.35 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.919 1.288 . . . . 0.0 111.127 169.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -112.44 80.12 1.3 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.872 1.269 . . . . 0.0 110.924 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 91.3 mt -142.3 -18.67 0.71 Allowed 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.818 1.647 . . . . 0.0 114.298 -168.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -139.37 152.11 46.87 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.787 1.635 . . . . 0.0 112.106 -167.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 41.8 m -115.31 146.63 41.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 124.206 1.002 . . . . 0.0 112.992 -177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 84.2 mmt-85 -62.48 152.59 34.08 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.592 1.557 . . . . 0.0 111.405 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -82.6 130.1 35.06 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.413 -0.804 . . . . 0.0 112.483 -175.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 65.2 mt 50.09 69.61 0.59 Allowed 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.622 1.969 . . . . 0.0 113.978 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 . . . . . 0 C--O 1.244 0.786 0 C-N-CA 126.492 1.917 . . . . 0.0 112.467 174.11 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 28.7 Cg_exo . . . . . 0 C--O 1.237 0.458 0 CA-C-O 119.106 -0.456 . . . . 0.0 112.762 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.1 128.21 35.34 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 118.877 0.762 . . . . 0.0 112.137 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.73 151.38 48.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.752 2.021 . . . . 0.0 112.025 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 mp -121.77 140.38 52.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.726 2.01 . . . . 0.0 110.69 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -82.07 103.25 11.56 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 111.341 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.6 mt -91.94 -18.81 23.18 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -171.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -109.96 -2.05 17.35 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 120.932 1.697 . . . . 0.0 114.606 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.46 24.01 25.01 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 164.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -128.05 19.64 6.48 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.746 1.619 . . . . 0.0 114.033 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.81 156.41 32.01 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 125.551 1.548 . . . . 0.0 114.87 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mt -71.3 134.74 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 121.32 -1.106 . . . . 0.0 111.171 -172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -125.23 153.38 43.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.68 1.592 . . . . 0.0 114.283 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -131.88 163.69 27.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.962 1.305 . . . . 0.0 113.21 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -143.09 171.83 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 128.072 2.549 . . . . 0.0 110.887 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.01 139.17 31.01 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.063 0.945 . . . . 0.0 112.677 162.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 111' ' ' ASP . 16.9 m -75.56 118.91 18.92 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 125.436 1.494 . . . . 0.0 109.806 166.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -68.31 145.96 53.73 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.38 -0.825 . . . . 0.0 111.631 175.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.41 -6.87 42.17 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 118.128 -1.374 . . . . 0.0 115.312 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 51.37 30.71 6.35 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.773 2.029 . . . . 0.0 116.172 170.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -82.1 -2.45 52.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.386 -1.446 . . . . 0.0 114.898 -172.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.89 162.05 5.4 Favored Glycine 0 C--N 1.34 0.75 0 C-N-CA 124.263 0.935 . . . . 0.0 114.243 -170.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.8 p -67.34 174.19 3.47 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 124.944 1.297 . . . . 0.0 112.992 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -65.6 -12.45 53.31 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.92 1.288 . . . . 0.0 114.218 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -113.24 -4.81 13.67 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 125.506 1.522 . . . . 0.0 114.115 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -85.8 97.36 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.045 1.738 . . . . 0.0 110.4 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -112.13 -8.21 14.02 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -170.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -82.77 66.21 8.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.161 0.984 . . . . 0.0 110.593 175.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.1 mtm105 -133.86 165.19 25.57 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.121 1.768 . . . . 0.0 113.089 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -133.75 64.26 1.61 Allowed 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 127.15 2.18 . . . . 0.0 108.964 172.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.25 -142.33 16.36 Favored Glycine 0 C--O 1.221 -0.715 0 C-N-CA 125.832 1.682 . . . . 0.0 112.287 -166.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.0 pt -77.58 171.37 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-O 121.925 0.869 . . . . 0.0 112.457 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -101.09 179.03 4.49 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.484 1.913 . . . . 0.0 111.099 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.9 p -93.62 -19.09 21.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 126.666 1.986 . . . . 0.0 113.228 166.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.62 147.56 23.34 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 126.177 1.791 . . . . 0.0 111.201 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 51.2 m -159.04 119.45 3.18 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.411 1.885 . . . . 0.0 109.826 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.05 148.67 18.97 Favored Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 124.8 1.19 . . . . 0.0 114.929 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -144.73 169.81 17.3 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 125.404 1.482 . . . . 0.0 112.829 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.77 135.95 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 124.934 1.294 . . . . 0.0 110.864 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.9 t -59.92 145.85 44.42 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.142 -0.973 . . . . 0.0 112.78 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.75 -17.04 62.63 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -77.19 -11.77 59.86 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 119.972 1.26 . . . . 0.0 113.693 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -118.46 -172.69 2.32 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.956 3.302 . . . . 0.0 111.889 177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.77 165.45 37.53 Favored Glycine 0 N--CA 1.448 -0.522 0 O-C-N 120.576 -1.327 . . . . 0.0 116.066 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.9 mt -100.66 132.34 46.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.106 2.162 . . . . 0.0 112.258 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.0 tp -76.32 130.43 38.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 119.737 1.153 . . . . 0.0 110.705 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.61 167.68 4.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 125.149 1.379 . . . . 0.0 112.524 -173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -147.62 130.62 16.27 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 126.073 1.749 . . . . 0.0 109.616 166.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -74.03 124.2 25.8 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.897 0.879 . . . . 0.0 110.674 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.09 -0.8 43.77 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.441 1.496 . . . . 0.0 114.524 -175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -138.78 3.31 2.25 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.37 12.85 83.88 Favored Glycine 0 C--N 1.34 0.801 0 O-C-N 120.625 -1.297 . . . . 0.0 115.909 167.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -75.81 -9.47 58.62 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 119.363 1.581 . . . . 0.0 114.026 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.07 5.68 82.9 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 126.313 1.911 . . . . 0.0 114.801 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -124.05 149.83 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 127.495 2.318 . . . . 0.0 109.97 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.61 106.19 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 125.086 1.355 . . . . 0.0 108.896 168.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -137.12 0.92 2.4 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -165.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -133.91 145.98 50.11 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.828 1.651 . . . . 0.0 109.646 169.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.99 -27.67 65.05 Favored Glycine 0 N--CA 1.447 -0.614 0 O-C-N 120.927 -1.108 . . . . 0.0 114.245 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.5 -16.12 44.37 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 173.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.39 -15.25 43.75 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.908 1.283 . . . . 0.0 113.176 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.31 143.26 28.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 125.646 1.578 . . . . 0.0 110.276 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 89.6 m-85 -80.67 105.45 11.92 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.009 -1.057 . . . . 0.0 110.164 177.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.66 178.2 31.55 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 124.808 1.194 . . . . 0.0 114.415 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.44 150.0 44.69 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 121.378 -1.072 . . . . 0.0 111.985 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.58 16.75 6.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.557 2.343 . . . . 0.0 115.146 -173.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.9 m -67.76 125.39 26.08 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.736 -1.227 . . . . 0.0 109.386 168.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -84.86 133.73 34.3 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 124.212 1.005 . . . . 0.0 111.72 -177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.0 mt -105.95 166.02 10.78 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 127.087 2.155 . . . . 0.0 111.708 -165.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.32 -18.81 64.97 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -93.9 7.38 45.22 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 124.953 1.301 . . . . 0.0 113.633 172.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.46 -7.44 78.94 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 126.596 2.046 . . . . 0.0 115.763 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.6 m -72.29 163.89 27.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 118.678 1.239 . . . . 0.0 112.832 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -113.83 136.72 52.56 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.82 131.7 42.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 113.283 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -64.23 -30.3 71.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 174.97 12.44 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 127.493 2.317 . . . . 0.0 110.777 177.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.21 -32.04 75.25 Favored Glycine 0 C--N 1.341 0.82 0 O-C-N 121.209 -0.932 . . . . 0.0 115.377 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.498 1.149 . . . . 0.0 112.136 173.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.11 -31.25 71.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.887 0.767 . . . . 0.0 112.666 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.22 89.76 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.729 0.695 . . . . 0.0 111.85 171.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 tp -74.01 -33.73 63.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.038 0.935 . . . . 0.0 112.924 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.74 -16.7 63.34 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.393 1.477 . . . . 0.0 114.972 -173.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -75.75 -13.93 60.31 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.73 1.212 . . . . 0.0 114.183 172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.2 mt -93.16 -2.89 54.85 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -175.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -71.33 117.67 13.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 118.786 0.721 . . . . 0.0 109.674 170.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -90.83 -27.62 18.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -168.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -110.97 -16.47 13.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 126.041 1.736 . . . . 0.0 113.813 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.07 74.77 0.95 Allowed Glycine 0 C--N 1.334 0.429 0 C-N-CA 123.908 0.766 . . . . 0.0 112.714 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.4 p30 -135.49 8.41 3.36 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.025 1.33 . . . . 0.0 114.366 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 70.54 6.73 5.94 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 127.394 2.278 . . . . 0.0 115.821 -177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.9 pt -129.82 147.49 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 122.838 1.304 . . . . 0.0 112.978 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -97.3 114.85 35.46 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 167.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -144.86 169.1 18.69 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 124.82 1.248 . . . . 0.0 111.642 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.56 -20.45 55.77 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -171.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.62 61.35 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 172.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -75.41 131.72 40.39 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 120.078 1.308 . . . . 0.0 111.963 172.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.6 66.62 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.96 -18.91 49.21 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -59.36 -40.97 88.16 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.384 -1.448 . . . . 0.0 113.809 -169.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -68.09 -15.22 63.5 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.5 m -92.82 -9.52 40.11 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.002 1.721 . . . . 0.0 114.379 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.99 147.32 51.79 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.729 1.15 . . . . 0.0 111.073 175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -141.99 165.37 27.65 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.428 1.891 . . . . 0.0 110.375 173.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 51.6 t -121.94 121.77 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.934 0.893 . . . . 0.0 109.697 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -91.4 122.0 33.62 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 124.675 1.19 . . . . 0.0 111.14 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -118.38 99.76 7.05 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.095 1.358 . . . . 0.0 109.755 171.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -79.57 105.46 10.88 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.589 -0.694 . . . . 0.0 111.342 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.92 -29.76 67.0 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 123.568 0.747 . . . . 0.0 112.995 -175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -79.55 -8.32 59.08 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.286 1.034 . . . . 0.0 112.246 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 57.08 27.01 12.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.131 2.172 . . . . 0.0 113.267 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' HG23 ' A' ' 16' ' ' THR . 58.3 p30 -104.58 -15.87 15.19 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -169.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.03 17.5 77.17 Favored Glycine 0 C--O 1.219 -0.783 0 CA-C-N 118.889 0.768 . . . . 0.0 113.681 -174.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.5 mm -97.38 104.23 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 170.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.2 t -70.13 133.92 47.62 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -171.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -123.61 152.43 41.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.962 1.305 . . . . 0.0 110.391 163.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.24 -21.06 66.44 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -71.79 -24.18 61.69 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.478 1.111 . . . . 0.0 113.879 172.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -81.58 -5.64 58.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -171.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 25.5 mt -93.09 123.9 36.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.521 1.128 . . . . 0.0 110.876 176.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 -96.19 150.47 20.49 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 126.647 1.979 . . . . 0.0 110.799 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.6 p -72.62 159.08 34.45 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 123.173 0.589 . . . . 0.0 111.648 161.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.3 mp -71.5 -34.41 70.09 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.286 0.634 . . . . 0.0 110.683 169.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.75 -43.88 97.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.378 1.071 . . . . 0.0 112.472 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -75.16 -13.48 60.47 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.78 0.09 56.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.062 1.345 . . . . 0.0 113.095 169.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.34 24.49 76.66 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 125.143 1.354 . . . . 0.0 114.385 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.3 mt -83.3 124.23 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 124.39 1.076 . . . . 0.0 108.702 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -100.86 -41.98 6.63 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 124.25 1.02 . . . . 0.0 112.345 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.9 p -156.28 161.94 40.17 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.242 1.017 . . . . 0.0 112.517 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.2 mp -126.78 132.97 50.93 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 125.803 1.641 . . . . 0.0 110.317 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.96 144.95 45.03 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 119.356 0.98 . . . . 0.0 112.558 177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.4 mt -90.09 9.45 28.14 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.567 1.147 . . . . 0.0 113.625 163.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -99.88 132.62 45.12 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.963 2.505 . . . . 0.0 112.219 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -153.24 163.25 40.22 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 124.962 1.305 . . . . 0.0 112.973 -171.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -135.32 142.43 45.81 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.764 1.626 . . . . 0.0 111.578 172.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.1 133.31 46.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.747 1.619 . . . . 0.0 111.794 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.6 m -134.13 -21.37 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 125.414 1.486 . . . . 0.0 114.08 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 46.67 40.41 8.55 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 126.068 1.747 . . . . 0.0 114.646 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.81 122.09 32.56 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.537 1.535 . . . . 0.0 112.021 -162.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -72.1 128.65 36.37 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 122.557 0.343 . . . . 0.0 111.365 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.6 mt -107.08 1.43 24.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 88.5 169.59 45.04 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 126.016 1.769 . . . . 0.0 113.953 -174.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 48.19 34.19 4.23 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.574 1.95 . . . . 0.0 113.857 -176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.32 6.88 88.8 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 125.516 1.532 . . . . 0.0 116.407 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -96.94 145.27 26.07 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 119.324 1.562 . . . . 0.0 112.407 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.1 m -136.87 129.52 30.37 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.861 0.864 . . . . 0.0 112.874 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 1.6 tt -81.59 112.46 18.82 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 124.08 0.952 . . . . 0.0 108.757 167.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.33 -59.71 2.67 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 121.423 -0.798 . . . . 0.0 112.502 -174.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.96 142.6 47.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.01 1.324 . . . . 0.0 112.864 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -122.1 144.33 48.99 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 126.57 1.948 . . . . 0.0 112.268 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -142.6 -146.6 4.64 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 128.552 2.977 . . . . 0.0 111.119 170.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 68.3 m -145.24 164.81 30.23 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -121.9 152.76 39.28 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.192 1.797 . . . . 0.0 110.957 163.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 20.3 m -106.95 135.19 48.92 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 126.276 1.83 . . . . 0.0 110.499 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -103.25 159.67 15.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.594 1.558 . . . . 0.0 114.542 -173.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 44.1 p -63.96 -24.29 67.67 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.725 1.61 . . . . 0.0 114.074 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -79.86 2.99 21.12 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.071 1.748 . . . . 0.0 114.924 172.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.56 8.21 86.43 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 125.485 1.517 . . . . 0.0 116.153 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 30.1 p -98.95 172.75 7.22 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 119.205 1.503 . . . . 0.0 112.781 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.8 p -114.76 157.83 22.68 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.814 1.646 . . . . 0.0 111.521 171.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.27 157.76 43.83 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.995 1.318 . . . . 0.0 111.304 168.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -78.91 147.67 32.99 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -171.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -149.89 162.59 40.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.72 1.608 . . . . 0.0 110.474 172.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.84 173.58 46.14 Favored Glycine 0 N--CA 1.444 -0.825 0 O-C-N 121.362 -0.836 . . . . 0.0 114.798 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -82.09 119.83 24.53 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 117.964 0.882 . . . . 0.0 110.264 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 20.1 tp -117.29 117.69 30.23 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.777 1.631 . . . . 0.0 110.397 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 37.3 mt -78.64 116.1 18.78 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.736 1.614 . . . . 0.0 108.745 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 68.9 mt -92.4 132.48 36.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.533 1.133 . . . . 0.0 110.829 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -80.0 147.91 31.35 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -165.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -148.88 153.12 37.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.091 1.756 . . . . 0.0 110.079 168.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -70.12 151.59 45.28 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 121.103 -0.998 . . . . 0.0 112.973 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 59.91 -28.52 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 128.313 2.645 . . . . 0.0 116.01 -171.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.57 114.97 5.93 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 126.188 1.795 . . . . 0.0 111.91 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -79.19 150.05 31.77 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.446 1.098 . . . . 0.0 111.369 170.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 87.7 p -142.38 165.56 27.08 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 125.453 1.501 . . . . 0.0 113.235 -171.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 46.6 mtm105 -77.61 50.32 0.81 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 126.262 1.825 . . . . 0.0 114.619 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -96.09 -17.9 20.56 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 91.9 mt -83.54 147.0 28.03 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.994 1.318 . . . . 0.0 112.381 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.567 1.547 . . . . 0.0 113.787 -179.448 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.466 -0.141 0 N-CA-C 113.016 0.352 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.4 mt -64.15 126.78 28.84 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.93 153.77 39.26 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 128.1 2.56 . . . . 0.0 111.768 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -133.71 140.99 47.36 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.322 1.449 . . . . 0.0 111.511 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.96 127.14 36.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.899 1.679 . . . . 0.0 110.891 167.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.94 -29.62 18.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -104.06 -5.09 22.45 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.31 12.8 66.91 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 119.91 1.232 . . . . 0.0 115.038 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -115.65 2.55 13.76 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.778 2.031 . . . . 0.0 114.268 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.2 160.54 27.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 126.466 1.984 . . . . 0.0 115.453 173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -84.02 132.25 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 124.925 1.29 . . . . 0.0 110.765 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.45 169.56 11.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 126.966 2.106 . . . . 0.0 112.273 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -130.75 165.82 22.11 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.4 m -114.24 158.18 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 125.484 1.514 . . . . 0.0 111.91 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.58 136.25 51.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 123.962 0.905 . . . . 0.0 111.475 172.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 p -136.18 -20.65 1.43 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -174.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -69.37 152.19 45.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.58 -127.7 0.23 Allowed Glycine 0 CA--C 1.523 0.57 0 C-N-CA 125.597 1.57 . . . . 0.0 111.123 163.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -69.63 151.13 46.28 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.4 p -70.52 -14.59 62.58 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 126.501 1.92 . . . . 0.0 115.41 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.75 176.1 47.5 Favored Glycine 0 C--N 1.344 1.009 0 C-N-CA 125.085 1.326 . . . . 0.0 113.782 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -127.36 158.49 37.12 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.116 1.366 . . . . 0.0 111.375 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 99.2 mt -127.32 -20.27 4.1 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.756 1.623 . . . . 0.0 113.493 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -132.9 146.2 51.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.472 1.909 . . . . 0.0 108.919 171.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -90.37 118.82 30.16 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.214 0.461 . . . . 0.0 110.229 162.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -161.4 160.15 29.09 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -74.86 5.38 5.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.672 1.589 . . . . 0.0 113.09 169.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 61.33 23.97 14.14 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.352 2.261 . . . . 0.0 115.684 177.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -109.62 -16.31 13.97 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.31 -27.78 67.33 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 124.456 1.027 . . . . 0.0 114.557 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.7 tt -149.43 141.15 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 126.48 1.912 . . . . 0.0 109.552 168.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -71.62 140.09 49.6 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 121.101 -1.0 . . . . 0.0 112.795 -175.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.3 p -125.81 -175.14 3.26 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 128.268 2.627 . . . . 0.0 109.781 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.85 130.01 41.11 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 120.116 1.325 . . . . 0.0 111.921 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.3 p -112.49 148.34 34.63 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.899 1.28 . . . . 0.0 113.209 -166.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.45 151.11 48.97 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.715 1.15 . . . . 0.0 115.526 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -149.33 162.32 40.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.0 m -91.73 155.39 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.988 2.915 . . . . 0.0 113.326 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.42 156.68 1.69 Allowed 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 120.513 -1.367 . . . . 0.0 113.291 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.54 -19.94 58.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -91.87 -7.12 50.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.851 1.66 . . . . 0.0 113.71 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -116.97 176.69 5.01 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 127.18 2.192 . . . . 0.0 110.658 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.31 170.98 35.11 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 120.481 -1.387 . . . . 0.0 115.658 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.05 150.05 26.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 112.28 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.8 tp -77.9 129.12 34.97 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 110.493 168.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.4 172.07 9.31 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 C-N-CA 124.34 1.056 . . . . 0.0 112.256 -174.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -150.02 145.7 26.57 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.455 1.502 . . . . 0.0 110.964 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -96.04 120.23 35.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.745 0.702 . . . . 0.0 109.862 168.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.4 -4.24 42.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.361 1.464 . . . . 0.0 114.556 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -138.84 11.57 2.67 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.44 21.0 72.15 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 115.965 1.146 . . . . 0.0 115.965 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -88.7 -2.48 58.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 118.837 1.318 . . . . 0.0 114.555 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.7 0.33 89.2 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 126.603 2.049 . . . . 0.0 115.936 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 37.0 pt -137.02 167.23 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 C-N-CA 125.726 1.611 . . . . 0.0 112.887 -173.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 36.2 mm -93.81 123.48 45.93 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 C-N-CA 126.057 1.743 . . . . 0.0 108.864 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -153.32 -20.07 0.15 Allowed 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -103.24 147.4 27.1 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.85 1.204 . . . . 0.0 112.371 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.29 -20.67 51.46 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 124.949 1.261 . . . . 0.0 115.965 -174.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.48 1.83 54.04 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.012 1.406 . . . . 0.0 114.364 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.15 -13.53 38.2 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -170.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.4 mt -98.82 156.59 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.952 1.701 . . . . 0.0 110.44 162.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 72.2 m-85 -101.77 106.68 17.71 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.077 0.951 . . . . 0.0 110.605 176.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 -175.14 28.28 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.302 0.501 . . . . 0.0 114.332 -177.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.74 158.3 13.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 122.311 -0.523 . . . . 0.0 111.423 169.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 61.53 4.11 0.94 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.568 1.947 . . . . 0.0 115.712 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -67.11 128.78 37.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 120.304 -1.497 . . . . 0.0 110.595 170.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -77.64 138.21 38.98 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.222 0.609 . . . . 0.0 111.69 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.2 mt -107.14 167.61 9.79 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 127.326 2.25 . . . . 0.0 111.431 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.66 -31.73 71.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -167.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 p30 -79.14 -1.28 35.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 114.038 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.79 7.43 84.13 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 124.279 0.942 . . . . 0.0 115.189 -175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -79.53 169.54 17.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 118.823 1.311 . . . . 0.0 112.215 166.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -125.0 140.1 53.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.809 1.244 . . . . 0.0 110.799 -177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.94 138.3 47.98 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.37 1.068 . . . . 0.0 113.453 -174.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -78.91 -25.49 43.73 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.14 1.376 . . . . 0.0 114.315 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -159.88 170.79 20.67 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 126.882 2.073 . . . . 0.0 110.986 173.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.86 -30.16 74.41 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-O 118.969 -0.906 . . . . 0.0 114.6 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -66.7 -40.89 88.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 118.854 1.327 . . . . 0.0 112.06 173.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.73 -26.26 66.92 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.01 0.823 . . . . 0.0 113.16 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.43 67.42 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 tp -80.41 -34.93 35.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.236 1.014 . . . . 0.0 113.262 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.92 -14.85 61.09 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -62.21 -25.41 67.78 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.088 0.955 . . . . 0.0 113.27 169.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt -88.24 -3.73 58.82 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -168.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -72.87 125.55 27.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 119.209 0.913 . . . . 0.0 110.858 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.0 m -90.33 -34.81 15.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -172.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -110.43 -1.87 16.86 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 125.338 1.455 . . . . 0.0 114.746 -171.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.02 33.56 45.08 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 120.028 1.286 . . . . 0.0 115.115 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.5 p30 -95.08 -5.38 44.41 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 118.905 1.353 . . . . 0.0 113.303 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.6 t30 63.88 31.71 13.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.127 2.171 . . . . 0.0 114.366 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.93 153.8 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 125.476 1.51 . . . . 0.0 111.308 164.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 mm -103.07 115.15 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 124.846 1.258 . . . . 0.0 108.804 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -150.24 170.55 18.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.672 1.589 . . . . 0.0 111.674 -172.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.65 60.39 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 -165.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.19 60.28 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.571 -1.331 . . . . 0.0 113.94 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -73.21 135.36 44.57 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.264 1.026 . . . . 0.0 111.566 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.81 -24.42 67.75 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -165.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.73 -15.65 47.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.12 -40.27 73.48 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -161.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -81.62 -10.12 59.5 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 119.637 1.108 . . . . 0.0 113.978 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.8 m -78.97 -23.82 44.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.718 1.607 . . . . 0.0 112.718 174.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 154.62 40.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.94 1.696 . . . . 0.0 112.264 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 67.1 mmt-85 -142.23 168.49 19.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.887 2.075 . . . . 0.0 111.022 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.46 143.09 35.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.889 1.676 . . . . 0.0 108.916 166.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -119.99 129.85 54.47 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.342 1.057 . . . . 0.0 110.85 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -123.71 129.04 50.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.283 1.433 . . . . 0.0 107.923 166.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.61 87.17 6.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.159 0.891 . . . . 0.0 110.336 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.44 -17.54 63.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -162.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -111.74 -4.18 14.75 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.898 1.679 . . . . 0.0 114.311 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 51.27 49.74 20.43 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 114.125 -176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.9 p30 -85.26 -19.0 32.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.169 -0.957 . . . . 0.0 112.453 173.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.58 16.55 58.39 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.869 1.224 . . . . 0.0 114.118 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.3 mt -137.8 141.92 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 126.902 2.081 . . . . 0.0 109.011 -170.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.9 p -92.54 148.52 22.02 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.875 -1.141 . . . . 0.0 112.868 171.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -135.13 159.51 41.31 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 124.944 1.298 . . . . 0.0 110.614 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.83 -31.79 66.98 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -167.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -83.85 -20.17 33.6 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.516 1.053 . . . . 0.0 113.173 175.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -14.54 58.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.275 1.43 . . . . 0.0 113.693 -169.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.3 mt -83.85 132.7 34.78 Favored 'General case' 0 N--CA 1.451 -0.375 0 O-C-N 121.051 -1.031 . . . . 0.0 110.932 170.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -114.98 150.18 36.2 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.425 1.89 . . . . 0.0 112.032 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 46.4 p -78.22 161.67 27.13 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.862 1.265 . . . . 0.0 112.294 168.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.96 -42.84 84.53 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.789 -0.569 . . . . 0.0 111.139 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -69.35 -36.79 77.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -174.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.27 -21.81 62.93 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.0 mt -90.59 1.65 56.56 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.919 1.688 . . . . 0.0 113.317 170.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.83 24.83 73.32 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 124.739 1.162 . . . . 0.0 115.306 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 86.0 mt -85.65 128.17 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 118.853 1.327 . . . . 0.0 108.883 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -102.04 -42.09 6.21 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.667 1.587 . . . . 0.0 112.559 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.6 p -158.6 156.45 30.1 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 119.306 0.957 . . . . 0.0 112.708 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 25.7 mt -107.65 135.87 48.36 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.669 1.188 . . . . 0.0 109.562 174.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -86.23 130.92 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.567 0.747 . . . . 0.0 110.918 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -87.14 -6.24 58.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -88.92 151.54 22.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.748 1.219 . . . . 0.0 112.506 174.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -155.59 168.74 26.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 125.179 1.391 . . . . 0.0 113.175 -171.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -133.11 141.28 48.08 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.84 1.656 . . . . 0.0 110.671 166.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.89 138.18 52.26 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.287 1.035 . . . . 0.0 111.339 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.46 -23.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 126.839 2.056 . . . . 0.0 114.074 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.5 m120 47.71 36.1 5.28 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 127.457 2.303 . . . . 0.0 114.925 174.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -91.72 134.1 35.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.119 1.767 . . . . 0.0 111.801 -163.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.06 129.17 39.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.653 -0.654 . . . . 0.0 110.609 171.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.74 14.21 31.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 173.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.92 170.31 42.84 Favored Glycine 0 C--N 1.339 0.747 0 C-N-CA 124.687 1.137 . . . . 0.0 114.035 -170.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 52.48 24.74 3.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.871 1.668 . . . . 0.0 115.347 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.41 8.98 76.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 125.515 1.531 . . . . 0.0 116.031 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -99.05 144.39 28.25 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 119.121 1.46 . . . . 0.0 112.532 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.1 m -127.97 117.55 21.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.328 1.051 . . . . 0.0 112.227 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 20.3 tp -76.23 103.85 6.46 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.549 0.74 . . . . 0.0 109.092 169.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.26 -50.86 35.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 122.141 -0.349 . . . . 0.0 111.352 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -142.51 144.7 33.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.913 1.285 . . . . 0.0 111.538 -177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -127.24 147.02 50.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.582 1.553 . . . . 0.0 111.694 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.81 7.82 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 127.512 2.482 . . . . 0.0 110.444 172.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 89.6 p -124.48 168.26 13.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -134.54 160.49 37.89 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 124.873 1.269 . . . . 0.0 110.312 161.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 24.5 m -112.35 139.93 47.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 125.663 1.585 . . . . 0.0 111.449 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -102.0 163.49 12.22 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.218 1.807 . . . . 0.0 113.851 -175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 23.9 p -66.83 -12.34 58.71 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.652 1.981 . . . . 0.0 114.867 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -96.79 6.43 48.7 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.963 1.705 . . . . 0.0 114.302 167.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 83.71 -5.63 77.61 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 125.806 1.669 . . . . 0.0 115.725 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.8 p -80.4 173.8 12.24 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 120.067 1.933 . . . . 0.0 112.612 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 78.6 p -129.99 164.96 23.15 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.515 1.126 . . . . 0.0 112.403 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -150.66 170.9 18.07 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.725 1.61 . . . . 0.0 110.816 165.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -75.85 148.23 38.49 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.2 ptm -141.31 165.1 28.44 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.812 1.645 . . . . 0.0 109.761 162.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.28 171.31 44.31 Favored Glycine 0 CA--C 1.525 0.71 0 O-C-N 120.913 -1.117 . . . . 0.0 114.358 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -86.49 111.03 20.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.428 0.633 . . . . 0.0 110.412 177.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 43.7 tp -104.52 111.09 23.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 125.893 1.677 . . . . 0.0 110.772 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.9 mt -77.21 122.08 24.55 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.551 1.54 . . . . 0.0 109.401 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt -87.52 147.25 25.44 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 124.262 1.025 . . . . 0.0 111.354 -167.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.65 158.69 23.82 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.711 1.205 . . . . 0.0 112.633 172.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -145.85 124.74 12.7 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.898 1.279 . . . . 0.0 111.864 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -80.03 170.71 16.08 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.067 1.747 . . . . 0.0 112.49 -176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . 0.402 HD22 ' CE1' ' A' ' 174' ' ' HIS . 14.2 t30 -73.13 157.03 38.03 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.1 1.36 . . . . 0.0 113.172 171.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 34.9 tp -75.84 93.91 3.24 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 123.478 0.711 . . . . 0.0 110.545 165.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . 0.402 ' CE1' HD22 ' A' ' 172' ' ' ASN . 93.9 m-70 -85.82 -27.28 25.22 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.421 1.488 . . . . 0.0 113.223 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 61.1 m -81.39 158.52 24.61 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 126.39 1.876 . . . . 0.0 113.141 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -85.49 48.17 1.54 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.629 1.572 . . . . 0.0 113.27 -171.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -94.9 -13.04 25.79 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -172.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 86.3 mt -115.41 14.55 16.74 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.632 1.573 . . . . 0.0 112.229 169.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 126.676 1.99 . . . . 0.0 111.646 173.58 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.214 0 N-CA-C 113.008 0.349 . . . . 0.0 113.008 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -59.79 118.93 6.75 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.97 0.508 . . . . 0.0 111.641 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.37 147.77 31.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.938 2.095 . . . . 0.0 110.638 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -118.27 134.34 55.12 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.588 1.955 . . . . 0.0 109.335 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.72 107.32 7.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.638 0.775 . . . . 0.0 109.112 163.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.01 -10.26 50.92 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 121.896 -0.503 . . . . 0.0 112.233 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.73 -19.23 20.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 29.81 27.77 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.52 1.057 . . . . 0.0 114.42 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -143.42 23.84 1.78 Allowed 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.443 1.497 . . . . 0.0 114.965 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.78 168.07 43.06 Favored Glycine 0 CA--C 1.526 0.72 0 O-C-N 120.643 -1.286 . . . . 0.0 114.502 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -82.19 135.46 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 124.885 1.274 . . . . 0.0 110.76 -171.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.93 163.52 32.67 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.903 1.281 . . . . 0.0 113.921 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 p -131.73 166.46 21.47 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.362 1.465 . . . . 0.0 113.157 -171.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.34 159.49 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 126.082 1.753 . . . . 0.0 112.77 -178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.05 72.32 3.39 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 126.0 1.72 . . . . 0.0 113.08 -171.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.7 p -118.97 -8.83 10.17 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 117.029 2.233 . . . . 0.0 117.029 -162.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -105.34 160.01 15.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 119.624 1.102 . . . . 0.0 112.755 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.1 150.62 5.31 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 125.648 1.594 . . . . 0.0 112.98 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -79.55 132.2 36.23 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.38 2.272 . . . . 0.0 111.261 -6.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -104.88 -11.42 16.74 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -174.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.52 -160.93 31.47 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 124.587 1.089 . . . . 0.0 112.338 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m -64.48 173.41 2.12 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.881 1.672 . . . . 0.0 112.794 170.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.18 139.98 30.58 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 121.018 -1.051 . . . . 0.0 110.224 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -124.07 -11.59 7.54 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.486 1.515 . . . . 0.0 113.122 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -124.11 -179.1 4.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 128.762 2.825 . . . . 0.0 110.42 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -24.18 67.61 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 169.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -142.39 153.57 43.88 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 126.533 1.933 . . . . 0.0 112.097 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -57.05 -24.9 57.16 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.693 1.597 . . . . 0.0 114.956 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -88.66 -2.82 58.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.35 166.95 50.28 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 123.979 0.799 . . . . 0.0 115.026 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -64.25 -17.74 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -167.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -105.58 -22.45 12.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.15 1.38 . . . . 0.0 112.583 176.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.9 m -97.73 -28.74 13.75 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.827 1.651 . . . . 0.0 113.349 -174.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.98 141.96 58.55 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.13 -0.981 . . . . 0.0 111.89 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.5 p -137.65 156.27 48.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.583 1.953 . . . . 0.0 111.044 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.89 -170.47 41.89 Favored Glycine 0 CA--C 1.523 0.579 0 O-C-N 120.855 -1.153 . . . . 0.0 115.324 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -109.9 173.52 6.29 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.936 1.694 . . . . 0.0 114.151 -162.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.2 136.63 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.289 1.436 . . . . 0.0 110.391 170.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 t -61.49 153.19 28.04 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.195 0.998 . . . . 0.0 113.101 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.77 -23.85 67.53 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -174.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.41 -9.66 59.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.848 1.259 . . . . 0.0 113.566 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -120.33 179.04 4.42 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 128.252 2.621 . . . . 0.0 111.691 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.69 178.46 33.99 Favored Glycine 0 C--N 1.338 0.683 0 O-C-N 120.554 -1.341 . . . . 0.0 115.795 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.6 mt -115.16 135.7 53.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.854 1.662 . . . . 0.0 110.994 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.2 tp -77.2 126.9 31.69 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.037 0.935 . . . . 0.0 110.483 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.66 162.09 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 C-N-CA 124.294 1.038 . . . . 0.0 112.62 -169.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -148.29 118.94 7.48 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.445 1.498 . . . . 0.0 109.47 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -80.95 111.28 17.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.481 -0.762 . . . . 0.0 110.855 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.81 -6.92 44.79 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.364 1.466 . . . . 0.0 113.88 -171.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -126.65 11.47 7.3 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.45 27.91 73.01 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 115.929 1.132 . . . . 0.0 115.929 162.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.9 p-10 -96.94 -6.7 34.98 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.3 2.47 76.98 Favored Glycine 0 C--N 1.34 0.789 0 C-N-CA 126.011 1.767 . . . . 0.0 115.836 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.3 pt -136.74 165.22 28.87 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 C-N-CA 125.87 1.668 . . . . 0.0 112.17 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.5 mm -105.42 106.87 21.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 C-N-CA 125.185 1.394 . . . . 0.0 109.787 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -148.7 12.82 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -166.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -128.13 138.13 52.39 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.614 1.166 . . . . 0.0 109.056 160.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.49 -14.15 40.8 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.464 -1.186 . . . . 0.0 116.051 -174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.46 50.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.515 1.658 . . . . 0.0 114.011 172.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -73.1 -22.02 60.64 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.515 1.526 . . . . 0.0 113.292 -176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.61 129.44 34.96 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.306 1.042 . . . . 0.0 108.878 162.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 69.6 m-85 -67.54 107.8 2.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.498 0.59 . . . . 0.0 110.116 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.67 -169.84 36.44 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-O 121.901 0.723 . . . . 0.0 113.145 -170.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -68.71 3.13 2.04 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -113.46 0.08 14.61 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.836 1.254 . . . . 0.0 113.635 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.7 m -80.18 141.69 35.43 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.184 1.394 . . . . 0.0 111.246 169.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -90.31 148.19 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.575 1.15 . . . . 0.0 112.54 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.3 179.77 5.45 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 127.865 2.466 . . . . 0.0 111.39 175.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.15 -13.32 62.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -168.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -98.42 0.7 45.81 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.686 -1.259 . . . . 0.0 113.485 170.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.09 84.15 Favored Glycine 0 C--N 1.337 0.631 0 C-N-CA 126.189 1.852 . . . . 0.0 115.391 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 m -71.81 146.89 47.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 120.193 1.996 . . . . 0.0 111.468 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -76.23 137.2 39.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 121.398 -0.814 . . . . 0.0 111.982 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.32 144.18 53.6 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.382 1.073 . . . . 0.0 112.972 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -71.81 -27.69 63.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.01 173.27 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.642 1.977 . . . . 0.0 111.232 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.13 73.78 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.699 1.142 . . . . 0.0 114.82 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.88 -33.02 71.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.405 1.103 . . . . 0.0 112.96 173.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.35 -41.31 73.34 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.399 0.999 . . . . 0.0 110.814 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.95 82.71 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.015 0.926 . . . . 0.0 113.483 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.2 tp -79.47 -38.88 33.48 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.76 -21.74 66.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -175.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.16 -21.47 66.22 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.3 mt -87.85 -0.49 57.03 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -76.92 91.19 3.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.176 1.39 . . . . 0.0 111.375 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 m -64.38 -26.82 68.63 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -107.06 -16.67 14.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.376 1.47 . . . . 0.0 114.538 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.2 54.94 4.54 Favored Glycine 0 CA--C 1.53 0.98 0 CA-C-N 119.754 1.161 . . . . 0.0 113.519 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -110.22 -0.37 17.83 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.708 1.603 . . . . 0.0 113.215 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.253 2.2 t30 71.44 21.84 4.41 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.947 2.099 . . . . 0.0 114.781 -178.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 28.9 pt -135.81 154.74 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 125.326 1.451 . . . . 0.0 112.31 166.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.81 117.39 49.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 C-N-CA 125.073 1.349 . . . . 0.0 109.542 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -152.77 168.36 25.95 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.328 1.851 . . . . 0.0 112.665 -169.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.82 -14.47 15.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 117.914 2.561 . . . . 0.0 117.914 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.99 -20.02 56.58 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -75.24 140.55 43.28 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.953 1.301 . . . . 0.0 112.796 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.58 -26.82 66.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -165.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.25 -15.38 47.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.062 1.345 . . . . 0.0 114.402 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.85 -38.03 69.53 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 120.612 1.551 . . . . 0.0 114.887 -164.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -73.22 -9.71 59.0 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.0 p -86.49 -8.13 57.84 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.56 142.91 42.65 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.743 -1.223 . . . . 0.0 112.263 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -143.2 166.78 23.76 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.441 1.897 . . . . 0.0 110.723 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.3 t -121.84 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 C-N-CA 124.236 1.015 . . . . 0.0 109.118 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -106.47 121.08 43.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 125.35 1.46 . . . . 0.0 110.548 174.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -116.84 99.09 6.86 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.333 1.453 . . . . 0.0 108.301 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -70.56 112.66 6.98 Favored 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.875 -0.515 . . . . 0.0 110.925 -173.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.7 mt -79.35 -15.52 57.77 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -166.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -112.56 6.29 18.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.868 1.267 . . . . 0.0 113.936 167.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 51.29 43.0 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 127.959 2.504 . . . . 0.0 114.543 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -102.43 -17.28 15.89 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 76.37 24.82 67.26 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 119.726 1.148 . . . . 0.0 114.755 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.6 mm -108.33 125.68 65.06 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 C-N-CA 125.528 1.531 . . . . 0.0 107.965 166.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.9 t -87.83 131.9 34.37 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.485 1.038 . . . . 0.0 113.519 -167.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -132.43 151.76 51.76 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.561 1.544 . . . . 0.0 111.057 171.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.94 -25.75 68.28 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 115.656 1.725 . . . . 0.0 115.656 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -66.12 -17.79 64.94 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 172.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.37 -8.16 39.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.286 1.834 . . . . 0.0 113.396 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.94 152.11 20.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.363 1.465 . . . . 0.0 111.341 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -143.27 154.6 43.97 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.818 2.047 . . . . 0.0 111.754 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.2 p -78.74 167.12 21.66 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.426 164.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.75 -42.05 67.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 121.488 -0.758 . . . . 0.0 112.03 173.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.46 -42.03 98.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.107 0.963 . . . . 0.0 112.813 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.63 -24.18 64.52 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 120.85 -1.156 . . . . 0.0 112.748 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.5 0.38 56.92 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.567 1.547 . . . . 0.0 113.587 172.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.13 24.0 71.65 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.478 1.037 . . . . 0.0 114.379 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 78.0 mt -85.64 127.9 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.552 1.176 . . . . 0.0 108.263 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -107.49 -44.81 4.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 123.606 0.762 . . . . 0.0 112.536 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.3 p -155.05 158.41 39.04 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 119.044 0.838 . . . . 0.0 112.322 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -120.94 139.7 52.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.894 1.278 . . . . 0.0 110.579 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.57 135.35 34.15 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.054 0.942 . . . . 0.0 112.298 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.5 mt -95.56 0.02 52.51 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.94 137.46 33.09 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 121.162 -0.961 . . . . 0.0 111.647 166.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -150.19 173.19 14.2 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.539 1.136 . . . . 0.0 112.496 -176.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -126.24 137.76 53.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 127.821 2.448 . . . . 0.0 109.727 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -71.35 127.93 34.19 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.665 0.786 . . . . 0.0 110.864 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.44 -30.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -173.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 44.42 46.19 7.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.486 1.914 . . . . 0.0 115.168 173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.9 120.57 31.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 126.147 1.779 . . . . 0.0 111.713 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -72.62 113.63 9.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 O-C-N 121.036 -1.04 . . . . 0.0 110.34 170.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 17.2 mt -83.79 -22.24 31.91 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 108.59 175.72 21.77 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 125.434 1.493 . . . . 0.0 113.607 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 53.22 31.77 12.18 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.756 1.222 . . . . 0.0 113.399 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.75 2.14 86.85 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 126.733 2.111 . . . . 0.0 116.005 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -108.71 144.12 36.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 120.087 1.944 . . . . 0.0 113.722 -170.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 96.1 m -141.0 124.79 16.98 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 124.591 1.156 . . . . 0.0 111.917 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 18.8 tp -87.76 110.25 20.32 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.802 1.641 . . . . 0.0 110.239 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.54 8.34 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -127.62 145.34 50.91 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 126.09 1.756 . . . . 0.0 110.098 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -135.96 141.39 44.45 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.598 1.159 . . . . 0.0 113.134 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -150.33 -150.78 5.37 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 128.889 3.138 . . . . 0.0 110.896 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 72.4 m -138.4 171.26 14.64 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.782 1.233 . . . . 0.0 114.132 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -127.1 158.9 35.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.826 2.05 . . . . 0.0 110.77 166.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 53.0 m -108.62 135.91 49.08 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.57 1.548 . . . . 0.0 111.849 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -100.55 159.29 15.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.74 1.616 . . . . 0.0 113.287 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.5 p -63.27 -25.71 68.45 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.24 1.816 . . . . 0.0 114.308 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 45.1 p30 -79.4 0.57 28.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.498 1.519 . . . . 0.0 114.773 171.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.69 77.03 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 126.279 1.895 . . . . 0.0 115.35 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 41.4 p -81.22 164.81 22.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.224 1.512 . . . . 0.0 112.41 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 50.5 p -122.61 153.1 39.77 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.965 1.306 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.09 161.65 37.61 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.517 1.127 . . . . 0.0 111.131 170.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -70.77 152.33 43.89 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -172.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.0 ptm -145.77 165.13 29.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.75 1.62 . . . . 0.0 110.498 165.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 179.56 165.99 34.54 Favored Glycine 0 N--CA 1.443 -0.874 0 O-C-N 120.689 -1.257 . . . . 0.0 113.979 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -82.6 106.82 14.77 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 121.784 -0.833 . . . . 0.0 110.328 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.48 113.98 25.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.002 1.321 . . . . 0.0 109.862 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 58.2 mt -72.53 126.5 30.0 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 167.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 70.0 mt -94.45 151.49 19.33 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.217 1.007 . . . . 0.0 113.654 -168.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -58.5 153.96 14.99 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 124.616 1.167 . . . . 0.0 112.888 163.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -151.14 157.38 42.63 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -171.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.69 152.7 31.47 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.094 0.957 . . . . 0.0 112.424 166.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -57.98 124.57 19.76 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 125.871 1.668 . . . . 0.0 112.152 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 78.9 mt -116.56 -8.3 11.53 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 125.957 1.703 . . . . 0.0 113.712 171.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -83.34 -26.93 30.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 120.68 -1.263 . . . . 0.0 113.575 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 79.0 p -143.26 -7.95 0.79 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.649 1.579 . . . . 0.0 114.603 172.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 60.07 -1.16 0.2 Allowed 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 128.613 2.765 . . . . 0.0 117.384 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -72.5 145.07 47.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.634 -1.291 . . . . 0.0 112.301 173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 59.6 mt -108.79 30.04 6.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.525 1.53 . . . . 0.0 112.039 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.243 0.739 0 C-N-CA 126.886 2.075 . . . . 0.0 114.031 -171.301 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.46 -0.477 0 CA-C-O 119.324 -0.365 . . . . 0.0 112.945 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.7 mt -68.88 127.95 34.94 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.83 153.92 45.01 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 128.338 2.655 . . . . 0.0 111.923 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -123.68 142.47 51.03 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.23 1.812 . . . . 0.0 110.636 176.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -80.84 97.04 7.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.636 1.575 . . . . 0.0 109.334 167.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.77 -13.44 39.49 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -167.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -112.18 -2.23 15.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.97 31.79 25.28 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 116.961 1.544 . . . . 0.0 116.961 168.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -126.4 23.1 6.98 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 119.665 1.732 . . . . 0.0 114.583 174.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.73 150.71 27.44 Favored Glycine 0 C--N 1.339 0.75 0 C-N-CA 126.636 2.065 . . . . 0.0 112.8 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -70.06 128.69 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -135.69 164.13 28.57 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.717 1.207 . . . . 0.0 113.182 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -132.1 161.63 32.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.32 1.448 . . . . 0.0 113.878 -167.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.2 m -142.91 160.02 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 125.929 1.692 . . . . 0.0 112.115 -176.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.96 150.06 47.1 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.83 1.252 . . . . 0.0 111.816 162.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p -75.6 145.57 41.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.018 0.927 . . . . 0.0 111.635 171.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -130.87 -35.89 1.4 Allowed 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.353 1.061 . . . . 0.0 113.072 -173.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.2 -175.74 37.08 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 123.826 0.727 . . . . 0.0 112.987 175.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -134.59 146.02 49.21 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.232 1.013 . . . . 0.0 112.498 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.1 p -105.94 -6.94 18.45 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 126.15 1.78 . . . . 0.0 113.756 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.63 176.31 33.22 Favored Glycine 0 C--N 1.338 0.679 0 CA-C-N 119.141 0.882 . . . . 0.0 114.559 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.4 m 49.72 40.34 19.84 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.707 2.003 . . . . 0.0 114.182 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.31 132.58 37.51 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 123.468 0.707 . . . . 0.0 110.263 174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -138.07 179.62 6.34 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 126.428 1.891 . . . . 0.0 111.205 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -102.02 -9.62 20.45 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.29 1.036 . . . . 0.0 113.303 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -97.84 -7.98 29.31 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.63 1.572 . . . . 0.0 114.998 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -152.58 150.16 29.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.689 1.596 . . . . 0.0 110.721 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -93.62 -10.53 34.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -175.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -89.51 170.4 10.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 124.091 0.956 . . . . 0.0 113.433 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -155.81 -144.91 4.04 Favored Glycine 0 C--N 1.339 0.725 0 C-N-CA 125.792 1.663 . . . . 0.0 111.266 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.7 pt -132.93 154.13 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 125.807 1.643 . . . . 0.0 111.51 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -141.12 162.08 36.33 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 126.666 1.986 . . . . 0.0 112.084 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.7 p -111.64 -32.46 6.66 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.604 1.161 . . . . 0.0 112.967 169.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.23 132.92 45.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 120.813 -1.179 . . . . 0.0 111.175 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.2 p -111.89 -16.52 13.12 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.062 1.345 . . . . 0.0 113.479 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.1 154.19 25.42 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 124.853 1.216 . . . . 0.0 112.312 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 t-105 -147.75 170.96 16.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.306 1.042 . . . . 0.0 111.863 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.23 144.86 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 121.613 -0.679 . . . . 0.0 110.28 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t -60.71 151.85 28.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.134 0.973 . . . . 0.0 112.533 -176.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.0 -12.69 61.02 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -173.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.06 -11.88 60.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 119.956 1.253 . . . . 0.0 112.737 167.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -112.53 -175.04 2.58 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 128.85 2.86 . . . . 0.0 111.075 175.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -167.33 171.24 41.95 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 120.866 -1.146 . . . . 0.0 114.668 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.8 mt -100.93 141.11 34.29 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.413 1.485 . . . . 0.0 111.615 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 tp -78.79 131.06 36.37 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 123.862 0.865 . . . . 0.0 109.815 171.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.9 m -145.7 171.16 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.631 1.172 . . . . 0.0 112.368 -171.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -143.69 145.33 32.35 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 125.879 1.672 . . . . 0.0 110.848 166.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -84.82 134.73 34.29 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.722 0.692 . . . . 0.0 109.617 165.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -105.18 -15.78 14.97 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.289 1.835 . . . . 0.0 113.458 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -126.96 2.11 6.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.86 21.66 70.92 Favored Glycine 0 N--CA 1.444 -0.779 0 CA-C-N 120.116 1.326 . . . . 0.0 115.569 171.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -95.52 -2.38 48.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 125.351 1.461 . . . . 0.0 113.902 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.37 11.84 85.13 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-O 117.935 -1.48 . . . . 0.0 115.743 171.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.4 pt -137.38 162.74 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.966 1.706 . . . . 0.0 111.671 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.0 mm -99.32 100.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 C-N-CA 125.843 1.657 . . . . 0.0 109.807 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -147.8 -3.6 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 125.329 1.451 . . . . 0.0 114.741 -169.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -113.42 30.99 6.79 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 120.555 1.525 . . . . 0.0 114.669 -172.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -74.8 1.51 Allowed Glycine 0 C--N 1.338 0.649 0 C-N-CA 124.337 0.97 . . . . 0.0 114.581 167.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.82 2.27 0.73 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.14 2.176 . . . . 0.0 114.743 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -82.13 -21.2 36.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.589 2.755 . . . . 0.0 113.356 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -90.8 154.94 19.15 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.626 1.97 . . . . 0.0 110.313 165.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 70.3 m-85 -107.15 107.31 18.22 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.667 1.187 . . . . 0.0 110.948 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.55 -160.79 10.89 Favored Glycine 0 C--N 1.335 0.487 0 CA-C-N 118.776 0.716 . . . . 0.0 114.649 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -66.7 149.33 50.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 121.323 -1.104 . . . . 0.0 111.175 166.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.36 6.25 1.85 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -65.32 127.06 30.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 119.897 1.226 . . . . 0.0 110.925 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -76.37 136.79 39.51 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.62 1.168 . . . . 0.0 112.292 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.2 mt -108.56 173.03 6.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 127.909 2.483 . . . . 0.0 111.853 -173.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.32 71.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -168.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -92.46 12.74 21.78 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 120.029 1.286 . . . . 0.0 113.735 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.42 -2.83 84.18 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 125.712 1.625 . . . . 0.0 115.344 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.3 p -69.14 171.29 8.55 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 119.314 1.557 . . . . 0.0 112.786 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -124.41 140.76 52.65 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.465 -0.772 . . . . 0.0 111.863 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 144.39 44.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.701 0.8 . . . . 0.0 111.681 172.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -83.64 -22.96 32.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -158.96 173.17 16.91 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 125.941 1.697 . . . . 0.0 111.74 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.55 -38.83 96.47 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 -170.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -67.62 -37.2 82.16 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 118.643 1.222 . . . . 0.0 112.235 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.35 73.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.827 0.74 . . . . 0.0 112.843 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -30.28 70.46 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.087 -1.008 . . . . 0.0 113.222 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 30.2 tp -87.22 -28.17 22.53 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.548 1.139 . . . . 0.0 112.974 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.09 -21.8 65.26 Favored 'General case' 0 C--O 1.223 -0.341 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -68.45 -17.18 64.14 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.717 1.207 . . . . 0.0 113.857 172.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.6 mt -99.35 1.5 44.47 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -166.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -78.32 119.31 21.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 118.759 0.709 . . . . 0.0 109.659 166.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.7 m -90.22 -30.96 17.23 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.879 -1.138 . . . . 0.0 113.611 -171.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -107.43 -3.9 19.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 126.196 1.798 . . . . 0.0 115.157 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.35 36.08 40.45 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 119.042 0.837 . . . . 0.0 114.86 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.1 p30 -96.29 -3.05 44.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.034 1.334 . . . . 0.0 113.51 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.252 4.0 t30 66.33 25.96 10.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 127.412 2.285 . . . . 0.0 115.098 -177.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 pt -132.94 154.35 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.248 1.419 . . . . 0.0 111.591 167.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -100.67 119.09 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 C-N-CA 124.425 1.09 . . . . 0.0 109.006 171.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -151.03 168.82 23.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.756 1.223 . . . . 0.0 112.087 -173.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.25 -16.63 47.27 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 -167.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.76 -23.65 58.56 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 171.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -69.87 146.04 51.58 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.937 1.295 . . . . 0.0 113.255 175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.34 72.96 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -173.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.85 -19.86 60.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.58 -44.6 89.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 -152.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 119.79 1.177 . . . . 0.0 113.8 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.4 m -76.67 -22.97 53.28 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 120.949 -1.094 . . . . 0.0 112.013 169.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.9 mt -71.96 142.35 49.41 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.0 110.753 170.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -142.25 171.59 13.85 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.223 2.209 . . . . 0.0 110.193 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.9 t -124.64 135.59 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.699 1.2 . . . . 0.0 110.372 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -112.19 120.61 42.39 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.54 1.536 . . . . 0.0 110.595 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -114.48 101.34 9.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.717 1.207 . . . . 0.0 109.745 173.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.25 118.18 19.5 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 121.674 -0.641 . . . . 0.0 112.081 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.6 mt -88.58 -22.35 23.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -114.04 -12.49 12.58 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 51.31 60.86 3.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 126.999 2.119 . . . . 0.0 113.84 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.8 p30 -96.23 -11.18 26.42 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.685 1.994 . . . . 0.0 114.24 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 81.12 11.13 83.99 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 125.164 1.364 . . . . 0.0 115.044 -170.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -128.36 142.0 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.739 2.015 . . . . 0.0 110.225 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.0 t -93.38 140.12 29.92 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.384 -0.822 . . . . 0.0 112.398 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -136.59 149.67 48.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 126.354 1.862 . . . . 0.0 109.802 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.67 -23.44 66.78 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -164.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -67.42 -13.55 62.13 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 125.173 1.389 . . . . 0.0 114.186 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -97.5 -5.39 36.03 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 125.946 1.698 . . . . 0.0 113.689 -175.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.6 mt -93.13 151.47 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 124.311 1.044 . . . . 0.0 112.542 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.13 153.52 45.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.497 2.319 . . . . 0.0 110.46 175.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 73.0 p -78.53 158.78 28.46 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.457 1.123 . . . . 0.0 111.548 167.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -33.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.164 -0.96 . . . . 0.0 110.814 167.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -73.81 -40.06 63.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.977 1.311 . . . . 0.0 112.81 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -71.22 -26.15 62.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 120.216 -1.552 . . . . 0.0 112.791 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.5 mt -80.44 -1.91 43.56 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.652 1.581 . . . . 0.0 113.477 168.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.54 26.81 72.89 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 124.368 0.985 . . . . 0.0 114.893 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 88.8 mt -83.83 129.66 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 124.883 1.273 . . . . 0.0 108.709 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -101.19 -41.16 6.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.54 1.136 . . . . 0.0 112.237 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.3 p -157.89 160.21 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -124.08 139.33 54.05 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.76 1.624 . . . . 0.0 110.046 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -86.37 133.76 33.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 124.081 0.952 . . . . 0.0 111.159 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.44 -4.76 58.57 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 173.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -87.02 141.58 28.56 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.843 0.857 . . . . 0.0 112.494 173.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -145.34 166.5 25.39 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -127.08 144.07 51.12 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 128.642 2.777 . . . . 0.0 110.649 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -81.29 134.36 35.58 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.662 0.785 . . . . 0.0 111.312 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.61 -29.84 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 125.137 1.375 . . . . 0.0 113.744 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.2 m120 51.09 45.53 27.68 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.957 1.703 . . . . 0.0 114.002 170.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -103.24 128.13 50.34 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.657 1.983 . . . . 0.0 112.153 -163.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -79.16 124.6 28.49 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.353 1.461 . . . . 0.0 110.148 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.58 -24.16 12.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 116.18 157.44 11.12 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 124.518 1.056 . . . . 0.0 113.35 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.7 m120 58.82 30.61 20.29 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.423 1.889 . . . . 0.0 114.376 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 83.29 12.66 78.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 125.171 1.367 . . . . 0.0 116.002 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -111.79 144.77 40.54 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.031 1.416 . . . . 0.0 111.903 -170.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.3 m -138.87 126.58 22.06 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.95 0.9 . . . . 0.0 112.103 -169.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 35.5 tp -81.54 106.76 13.75 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.35 1.06 . . . . 0.0 110.18 172.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.22 -54.2 7.52 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 118.328 0.513 . . . . 0.0 111.89 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -135.65 152.54 51.32 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.558 1.143 . . . . 0.0 111.322 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -141.25 150.76 43.03 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.102 1.361 . . . . 0.0 112.399 -171.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.33 -154.38 7.06 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 127.869 2.652 . . . . 0.0 110.985 168.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 49.9 m -133.66 151.88 51.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 119.082 1.441 . . . . 0.0 114.114 -176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -118.5 155.34 31.01 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.698 1.599 . . . . 0.0 110.413 171.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 52.2 m -116.14 134.4 54.98 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.04 1.336 . . . . 0.0 112.248 -171.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -96.03 163.05 13.29 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.81 1.644 . . . . 0.0 113.102 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 22.8 p -60.03 -31.31 69.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.196 1.399 . . . . 0.0 113.317 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -76.54 0.12 21.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.21 -0.2 88.74 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 125.023 1.297 . . . . 0.0 116.331 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 47.5 p -78.3 163.31 25.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 119.011 1.405 . . . . 0.0 111.919 171.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 31.2 p -125.58 161.33 27.45 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.465 1.106 . . . . 0.0 112.852 172.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -148.0 168.16 23.03 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.758 1.223 . . . . 0.0 110.391 165.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -67.68 147.32 52.82 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.5 ptm -134.6 160.56 37.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.802 1.641 . . . . 0.0 109.072 163.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 178.31 172.04 42.29 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 120.995 -1.066 . . . . 0.0 115.644 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -90.08 105.35 17.75 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.167 1.387 . . . . 0.0 109.909 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 53.3 tp -106.92 121.25 44.06 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 127.128 2.171 . . . . 0.0 110.312 -172.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 45.7 mt -75.97 128.89 36.0 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.504 1.122 . . . . 0.0 110.778 174.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.6 mt -110.0 127.24 54.68 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.456 1.502 . . . . 0.0 111.619 -171.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -78.8 133.73 37.05 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -172.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -154.84 145.16 22.01 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.763 1.225 . . . . 0.0 113.81 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -102.32 155.17 18.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 127.963 2.505 . . . . 0.0 110.679 173.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -85.56 -26.47 26.15 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.898 0.879 . . . . 0.0 112.207 167.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.71 101.63 9.41 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -67.19 109.22 2.98 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.495 1.518 . . . . 0.0 109.688 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 22.4 m -143.78 162.82 35.06 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -159.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -23.14 27.48 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 58.95 -177.63 0.08 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 126.316 1.847 . . . . 0.0 113.856 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.55 -41.71 92.69 Favored 'General case' 0 CA--C 1.513 -0.449 0 O-C-N 120.219 -1.551 . . . . 0.0 111.748 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 127.045 2.138 . . . . 0.0 111.781 -179.075 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 10.2 Cg_exo . . . . . 0 C--O 1.226 -0.123 0 N-CA-C 113.2 0.423 . . . . 0.0 113.2 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.75 136.32 56.08 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.884 0.874 . . . . 0.0 112.935 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.31 154.15 50.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 126.684 1.994 . . . . 0.0 112.065 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -116.58 141.63 47.95 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 126.671 1.989 . . . . 0.0 110.594 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -77.29 105.05 8.16 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.506 1.122 . . . . 0.0 110.43 168.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -89.17 -41.44 12.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.081 -1.012 . . . . 0.0 113.651 -169.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -86.23 -3.93 59.07 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 120.754 1.615 . . . . 0.0 114.143 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.92 31.34 26.55 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 118.433 -1.204 . . . . 0.0 115.551 165.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -124.15 17.06 9.18 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 119.903 1.851 . . . . 0.0 113.786 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.75 149.55 25.81 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 127.083 2.278 . . . . 0.0 113.531 -172.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.2 mt -69.16 131.4 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 121.879 -0.777 . . . . 0.0 109.95 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -119.39 158.53 25.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 125.659 1.584 . . . . 0.0 113.06 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -136.43 164.46 28.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.219 1.408 . . . . 0.0 112.397 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 m -146.55 169.81 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 C-N-CA 127.159 2.183 . . . . 0.0 111.786 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.51 156.69 36.62 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 123.568 0.747 . . . . 0.0 111.379 153.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.2 p -70.8 154.72 41.58 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.121 -0.987 . . . . 0.0 113.204 174.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 47.65 47.61 17.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.806 2.042 . . . . 0.0 115.452 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.07 -27.5 73.67 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 120.404 -1.435 . . . . 0.0 115.893 -175.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -119.45 -37.22 3.19 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 125.486 1.514 . . . . 0.0 112.629 176.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t 63.23 136.66 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 128.526 2.73 . . . . 0.0 116.333 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.12 -6.26 68.13 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.534 1.064 . . . . 0.0 114.192 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 t -153.59 133.51 13.18 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 126.503 1.921 . . . . 0.0 111.627 178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.76 -6.14 39.21 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -101.92 -14.3 17.27 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.061 1.744 . . . . 0.0 112.512 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -92.14 -16.72 25.93 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.225 1.41 . . . . 0.0 114.026 -174.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 -26.93 7.68 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 173.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -58.12 112.08 1.41 Allowed 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.159 0.984 . . . . 0.0 111.683 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 50.87 21.53 0.97 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.323 1.849 . . . . 0.0 115.228 -173.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.12 130.86 44.7 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.154 -0.967 . . . . 0.0 111.117 -174.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.71 11.06 47.97 Favored Glycine 0 C--N 1.343 0.957 0 CA-C-O 118.834 -0.981 . . . . 0.0 114.869 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . 0.308 10.4 pt 54.36 12.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 127.947 2.499 . . . . 0.0 116.296 -179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -146.75 150.12 34.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.412 1.885 . . . . 0.0 110.466 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.0 m -114.36 67.17 0.68 Allowed 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.02 1.328 . . . . 0.0 109.642 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.5 -3.69 1.15 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -157.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.4 p -96.72 148.65 22.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 119.424 1.011 . . . . 0.0 112.482 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -122.76 163.42 16.15 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 125.335 1.445 . . . . 0.0 114.174 -174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -148.76 171.52 16.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.764 1.226 . . . . 0.0 111.637 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -76.7 142.63 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 121.254 -0.904 . . . . 0.0 111.294 170.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.5 t -59.83 150.06 29.45 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.542 1.137 . . . . 0.0 112.179 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.74 -19.82 66.04 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.47 -7.11 55.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.671 1.189 . . . . 0.0 113.759 173.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -119.51 -170.95 2.03 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 128.859 2.864 . . . . 0.0 111.77 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.01 160.46 33.95 Favored Glycine 0 N--CA 1.448 -0.538 0 O-C-N 121.155 -0.966 . . . . 0.0 115.075 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.7 mt -83.7 141.79 31.2 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.204 1.002 . . . . 0.0 111.514 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -76.8 128.35 34.45 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.62 -0.675 . . . . 0.0 109.545 166.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.9 m -140.68 162.16 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -171.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -143.65 116.64 8.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.714 1.206 . . . . 0.0 110.74 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -76.52 114.38 15.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.911 0.485 . . . . 0.0 110.306 171.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.6 mt -93.41 -8.88 40.5 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 126.351 1.86 . . . . 0.0 114.347 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -126.83 -4.08 6.44 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.94 20.69 69.88 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 115.901 1.12 . . . . 0.0 115.901 171.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -84.52 -0.02 51.51 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.05 -0.51 87.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 126.106 1.812 . . . . 0.0 115.094 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 pt -133.24 160.45 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 125.339 1.456 . . . . 0.0 112.684 -175.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.38 100.12 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 125.782 1.633 . . . . 0.0 108.552 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -143.6 3.26 1.28 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -167.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -119.4 150.51 40.06 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.898 1.679 . . . . 0.0 111.634 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.28 -30.26 70.62 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 125.073 1.321 . . . . 0.0 115.394 -171.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.34 -2.54 53.16 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.26 -9.34 57.85 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 124.834 1.254 . . . . 0.0 114.254 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.7 mt -97.78 151.64 19.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.631 1.572 . . . . 0.0 109.941 162.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 91.4 m-85 -93.95 110.94 22.59 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.33 -0.857 . . . . 0.0 109.326 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.46 -156.44 9.93 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 124.205 0.907 . . . . 0.0 111.971 -175.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -71.37 160.11 33.36 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 122.13 0.967 . . . . 0.0 112.828 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 64.16 6.3 2.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 127.106 2.163 . . . . 0.0 116.131 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.0 m -62.55 129.87 42.56 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 119.849 -1.782 . . . . 0.0 109.21 160.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -84.28 142.38 30.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.109 -0.995 . . . . 0.0 111.166 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.6 mt -108.04 165.98 11.07 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 127.15 2.18 . . . . 0.0 111.986 -170.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.6 72.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -169.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -78.84 -7.26 57.72 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.997 1.319 . . . . 0.0 113.587 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.72 -1.74 61.82 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 126.198 1.856 . . . . 0.0 114.857 -173.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.6 m -72.38 171.4 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 119.668 1.734 . . . . 0.0 112.401 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -111.75 147.76 34.96 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.057 0.943 . . . . 0.0 111.987 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.23 134.79 50.99 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.172 1.389 . . . . 0.0 111.547 174.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -74.73 -31.33 61.8 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 125.312 1.445 . . . . 0.0 112.915 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -160.36 167.34 27.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.028 1.731 . . . . 0.0 111.632 -169.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.11 -26.92 69.71 Favored Glycine 0 C--N 1.34 0.762 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 -173.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.58 -37.97 74.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 118.982 1.391 . . . . 0.0 111.874 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.92 72.85 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 118.986 0.812 . . . . 0.0 112.611 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.26 71.84 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.4 tp -82.57 -34.8 27.61 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.191 1.396 . . . . 0.0 113.831 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.44 -20.91 61.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.79 -21.08 60.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.1 mt -94.71 3.47 55.01 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -170.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -79.25 123.62 27.6 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.513 1.506 . . . . 0.0 111.445 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 m -92.84 -14.54 27.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.765 2.026 . . . . 0.0 114.403 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -109.38 -21.56 12.45 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -164.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.22 46.5 20.94 Favored Glycine 0 C--O 1.225 -0.467 0 C-N-CA 123.921 0.772 . . . . 0.0 112.976 -172.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -124.24 1.87 8.49 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 125.473 1.509 . . . . 0.0 114.281 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 t30 60.02 24.92 14.12 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 127.67 2.388 . . . . 0.0 116.135 -177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.8 pt -134.38 157.97 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 125.523 1.529 . . . . 0.0 112.059 172.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.2 mm -110.16 118.58 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 125.145 1.378 . . . . 0.0 110.024 173.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -158.98 175.52 13.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.712 1.605 . . . . 0.0 111.641 -167.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.0 -13.25 23.93 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.93 -12.48 60.97 Favored 'General case' 0 N--CA 1.445 -0.724 0 O-C-N 120.463 -1.398 . . . . 0.0 114.403 167.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -87.27 142.99 27.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.319 1.447 . . . . 0.0 114.316 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.52 78.02 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.112 1.365 . . . . 0.0 114.033 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.17 -16.14 44.56 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -55.16 -42.74 73.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -161.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -72.25 -7.75 51.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.783 -1.198 . . . . 0.0 113.894 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 48.8 m -96.75 -2.87 43.46 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 125.202 1.401 . . . . 0.0 113.386 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.85 147.56 41.0 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 119.536 1.062 . . . . 0.0 110.994 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -138.29 171.72 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.864 2.066 . . . . 0.0 110.702 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -123.82 128.7 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.321 1.448 . . . . 0.0 110.025 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -100.77 121.39 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.063 0.945 . . . . 0.0 111.601 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -115.79 99.09 7.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.703 1.601 . . . . 0.0 110.185 173.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -86.15 93.66 9.08 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.44 0.638 . . . . 0.0 109.62 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.4 mt -72.11 -25.86 61.91 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.54 1.136 . . . . 0.0 112.989 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.89 -9.62 59.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.998 1.319 . . . . 0.0 112.736 167.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 59.54 32.86 21.9 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.002 1.721 . . . . 0.0 113.122 169.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -88.82 -31.32 18.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 120.612 -1.305 . . . . 0.0 114.075 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.38 15.77 54.6 Favored Glycine 0 C--N 1.341 0.844 0 N-CA-C 115.414 0.926 . . . . 0.0 115.414 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.9 mt -120.17 139.9 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.063 1.745 . . . . 0.0 108.229 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.8 t -94.75 132.72 39.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -165.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -117.56 147.37 42.87 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 126.485 1.914 . . . . 0.0 109.507 167.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.26 -29.73 71.0 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -164.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -66.1 -20.85 66.29 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -79.45 -6.42 56.86 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 120.536 1.516 . . . . 0.0 113.583 -175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.58 135.9 33.68 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.756 -1.215 . . . . 0.0 110.741 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -107.55 150.55 26.71 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.236 2.614 . . . . 0.0 110.798 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 82.3 p -71.46 158.39 36.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.007 0.923 . . . . 0.0 111.661 161.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.89 -26.18 62.23 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.338 -0.851 . . . . 0.0 110.694 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -67.04 -48.57 67.91 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.145 1.378 . . . . 0.0 111.762 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.94 -27.97 65.19 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 120.69 -1.256 . . . . 0.0 113.867 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.0 mt -79.81 -17.14 54.05 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.171 1.388 . . . . 0.0 113.037 171.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.43 47.08 44.99 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.431 1.015 . . . . 0.0 113.411 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.3 mt -99.14 125.44 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 127.305 2.242 . . . . 0.0 109.61 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -108.21 -47.97 3.44 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.493 1.117 . . . . 0.0 113.572 -172.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.5 p -154.58 145.92 22.98 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.107 0.867 . . . . 0.0 112.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.93 137.34 51.46 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.222 1.409 . . . . 0.0 109.966 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -81.58 130.72 35.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.102 0.961 . . . . 0.0 111.126 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -82.53 -7.86 59.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 174.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -83.05 151.15 25.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 119.216 0.917 . . . . 0.0 112.335 170.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -147.72 166.79 26.41 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.56 1.144 . . . . 0.0 112.151 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -121.48 137.74 54.59 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.555 1.542 . . . . 0.0 109.155 162.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -75.19 136.73 41.0 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.001 0.521 . . . . 0.0 111.412 172.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 26.0 m -132.75 -24.65 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 46.08 46.93 12.96 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 115.251 1.575 . . . . 0.0 115.251 174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -87.74 123.03 32.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.061 1.344 . . . . 0.0 111.392 -176.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -88.54 104.62 17.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.296 1.039 . . . . 0.0 109.876 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 76.8 mt -96.05 10.53 37.21 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.442 1.497 . . . . 0.0 114.822 -168.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 74.21 175.79 33.84 Favored Glycine 0 C--N 1.34 0.791 0 O-C-N 120.664 -1.273 . . . . 0.0 113.816 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 19.5 m120 54.31 22.19 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 126.176 1.79 . . . . 0.0 115.116 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.08 13.76 68.25 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 115.72 1.048 . . . . 0.0 115.72 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -109.85 138.13 46.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 118.914 1.357 . . . . 0.0 112.764 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 5.3 m -138.22 127.5 24.48 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.202 1.001 . . . . 0.0 111.005 173.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 55.3 tp -84.04 110.83 18.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 109.055 173.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.06 -50.59 11.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.865 0.466 . . . . 0.0 111.956 -177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -148.14 147.34 29.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.842 1.257 . . . . 0.0 112.411 -175.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -132.06 146.05 51.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.408 1.883 . . . . 0.0 111.942 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.39 5.4 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 127.977 2.703 . . . . 0.0 110.965 169.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.5 m -133.96 163.25 29.95 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -135.07 156.47 48.98 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.84 1.656 . . . . 0.0 111.186 165.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 40.8 m -107.55 141.31 39.19 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 126.437 1.895 . . . . 0.0 110.217 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -97.5 161.29 13.85 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 126.084 1.754 . . . . 0.0 112.287 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 51.7 p -68.04 -10.54 54.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -93.13 1.14 57.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 126.032 1.733 . . . . 0.0 114.801 168.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 90.03 -6.49 82.68 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 125.543 1.544 . . . . 0.0 116.094 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 57.0 p -77.7 166.52 22.87 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.147 1.474 . . . . 0.0 111.959 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 74.3 p -124.55 158.24 33.44 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.76 0.824 . . . . 0.0 113.075 176.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -147.37 163.3 36.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.252 1.421 . . . . 0.0 110.966 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -75.87 153.19 36.93 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.998 0.904 . . . . 0.0 113.345 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.5 ptm -142.45 161.39 38.17 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.93 1.692 . . . . 0.0 109.945 166.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -175.07 169.64 42.57 Favored Glycine 0 N--CA 1.443 -0.836 0 O-C-N 121.059 -1.026 . . . . 0.0 114.62 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -97.65 117.5 32.09 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.432 1.493 . . . . 0.0 110.258 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.57 128.66 54.72 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.014 0.926 . . . . 0.0 110.942 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.15 116.88 21.91 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.753 1.621 . . . . 0.0 108.851 171.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 27.2 mt -112.14 128.47 56.23 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.588 1.155 . . . . 0.0 110.948 -170.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.46 119.15 11.79 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 163.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -148.06 165.23 31.42 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.532 0.682 . . . . 0.0 112.624 -167.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -100.82 144.37 29.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.652 1.181 . . . . 0.0 110.357 161.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -85.13 57.16 4.29 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 124.269 1.028 . . . . 0.0 111.45 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 88.7 mt -86.4 49.48 1.8 Allowed 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 126.266 1.826 . . . . 0.0 110.697 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 20.6 p-80 -149.31 160.83 43.07 Favored 'General case' 0 CA--C 1.517 -0.327 0 C-N-CA 127.821 2.448 . . . . 0.0 110.034 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 65.9 m -77.94 144.83 36.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.047 -1.033 . . . . 0.0 113.535 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -61.05 142.89 56.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.189 0.996 . . . . 0.0 112.377 169.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -67.7 136.91 55.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.512 0.725 . . . . 0.0 111.053 168.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 95.9 mt -134.24 145.05 48.78 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 126.063 1.745 . . . . 0.0 110.22 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 124.989 1.316 . . . . 0.0 112.822 -177.335 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo . . . . . 0 CA--C 1.53 0.275 0 N-CA-C 114.32 0.854 . . . . 0.0 114.32 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -68.68 126.3 29.27 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 124.369 1.068 . . . . 0.0 111.527 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.89 143.15 51.19 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 126.02 1.728 . . . . 0.0 112.002 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mp -115.81 137.11 52.4 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.029 2.532 . . . . 0.0 110.168 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.79 111.57 19.31 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.456 1.502 . . . . 0.0 109.448 166.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.68 -27.03 21.52 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -170.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -111.76 -17.87 12.87 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.89 55.3 1.77 Allowed Glycine 0 C--N 1.343 0.942 0 O-C-N 120.992 -1.068 . . . . 0.0 114.719 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -144.96 25.62 1.41 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 167.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.47 175.53 45.69 Favored Glycine 0 N--CA 1.441 -1.032 0 C-N-CA 125.429 1.49 . . . . 0.0 113.44 -176.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mt -92.59 137.01 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 C-N-CA 125.298 1.439 . . . . 0.0 108.865 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -120.77 151.16 39.93 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 125.785 1.634 . . . . 0.0 110.298 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -133.27 165.84 23.87 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 120.854 -1.154 . . . . 0.0 112.666 -173.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.9 m -123.72 154.9 30.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.326 0 C-N-CA 126.568 1.947 . . . . 0.0 110.645 175.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.85 -26.07 34.58 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -176.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p -136.34 155.24 50.34 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.291 1.836 . . . . 0.0 111.579 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -116.79 168.32 10.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.798 1.639 . . . . 0.0 111.357 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.84 156.73 43.32 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 115.625 1.01 . . . . 0.0 115.625 -167.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -138.39 -8.3 1.5 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m 49.81 47.85 22.48 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.305 1.442 . . . . 0.0 114.673 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.06 3.06 50.77 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 117.068 1.587 . . . . 0.0 117.068 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -128.84 163.49 25.1 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 119.715 1.758 . . . . 0.0 112.04 -173.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.98 128.31 35.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 167.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -158.97 147.77 18.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 -172.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -139.51 147.97 42.0 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.914 1.685 . . . . 0.0 110.573 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -100.75 -101.61 0.25 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.051 1.34 . . . . 0.0 112.644 -168.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -149.15 124.18 10.04 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.128 0.971 . . . . 0.0 110.768 -167.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.295 0.0 OUTLIER 51.16 17.39 0.47 Allowed 'General case' 0 CA--C 1.515 -0.384 0 C-N-CA 129.251 3.02 . . . . 0.0 117.468 174.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -123.5 -8.6 8.02 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 125.359 1.463 . . . . 0.0 113.947 -166.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.64 -158.76 25.69 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 125.603 1.573 . . . . 0.0 114.465 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.9 pt -111.7 16.74 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 126.727 2.011 . . . . 0.0 113.463 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -154.05 150.38 28.17 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.942 2.097 . . . . 0.0 110.983 171.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 p -78.29 29.39 0.18 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.84 44.46 0.22 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 126.521 1.928 . . . . 0.0 112.387 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p -141.55 135.79 30.46 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 126.335 1.854 . . . . 0.0 111.786 -155.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.82 160.59 54.11 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 123.957 0.789 . . . . 0.0 114.67 -167.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -154.18 173.15 16.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 124.621 1.168 . . . . 0.0 111.974 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 m -78.78 151.5 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.97 -1.081 . . . . 0.0 112.167 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 p -64.53 158.25 24.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 121.408 -0.807 . . . . 0.0 112.223 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -14.08 39.93 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.707 -1.246 . . . . 0.0 114.269 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.27 -28.45 59.79 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.948 1.299 . . . . 0.0 113.636 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -109.11 143.61 38.25 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.602 1.561 . . . . 0.0 113.31 -168.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.32 127.32 8.86 Favored Glycine 0 C--N 1.337 0.591 0 O-C-N 121.493 -0.754 . . . . 0.0 113.91 -167.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.15 144.85 29.55 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 118.631 1.216 . . . . 0.0 111.04 172.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 tp -86.98 128.61 35.07 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 123.401 0.68 . . . . 0.0 111.484 175.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.4 m -143.21 164.43 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 125.088 1.355 . . . . 0.0 113.1 -176.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -152.28 113.01 4.15 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.294 1.838 . . . . 0.0 110.602 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -81.68 113.98 20.04 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 123.906 0.882 . . . . 0.0 110.816 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -68.6 -13.32 62.27 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -102.13 -9.54 20.43 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.848 1.659 . . . . 0.0 113.398 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.94 85.87 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.241 0.924 . . . . 0.0 115.085 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -110.01 -7.23 14.97 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 118.652 1.226 . . . . 0.0 113.327 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.58 21.74 39.38 Favored Glycine 0 C--N 1.341 0.821 0 C-N-CA 126.026 1.774 . . . . 0.0 115.81 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.3 mm -126.02 124.68 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 118.775 1.287 . . . . 0.0 111.503 -176.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.2 mm -99.84 101.56 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 126.278 1.831 . . . . 0.0 108.37 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -134.35 -15.78 2.17 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -108.43 154.03 22.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.965 1.306 . . . . 0.0 114.064 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.94 -18.83 34.81 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 126.22 1.867 . . . . 0.0 116.99 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.91 -9.42 58.73 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 119.715 1.758 . . . . 0.0 114.847 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -96.74 -22.12 17.16 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -160.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.78 134.54 44.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.542 1.537 . . . . 0.0 109.556 167.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -86.65 123.71 32.13 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 123.217 0.607 . . . . 0.0 111.426 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.18 -158.11 25.43 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 125.941 1.734 . . . . 0.0 111.97 -175.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -70.4 143.03 51.99 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.441 1.115 . . . . 0.0 112.557 169.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 59.12 20.9 8.85 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 127.151 2.18 . . . . 0.0 115.051 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.5 m -62.62 133.22 54.56 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.854 -1.154 . . . . 0.0 109.999 168.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -83.76 140.78 31.87 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.51 172.14 6.99 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 127.555 2.342 . . . . 0.0 112.774 -172.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.52 63.69 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -170.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -103.21 11.14 37.3 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 125.036 1.334 . . . . 0.0 112.876 171.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.04 -3.87 84.64 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 125.803 1.668 . . . . 0.0 115.523 -177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -67.44 154.93 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 119.893 1.846 . . . . 0.0 112.103 177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -99.88 129.79 46.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 C-N-CA 123.932 0.893 . . . . 0.0 111.867 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.35 135.36 44.31 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.448 1.099 . . . . 0.0 112.135 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -74.21 -26.1 60.06 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -174.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -155.82 169.92 23.29 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.361 2.264 . . . . 0.0 110.899 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.62 -29.91 76.46 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 115.579 0.992 . . . . 0.0 115.579 -172.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.79 -32.41 67.6 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 118.413 1.106 . . . . 0.0 112.074 174.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.14 -32.93 69.57 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 118.549 0.613 . . . . 0.0 111.902 170.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.83 81.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.736 0.814 . . . . 0.0 112.989 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.2 tp -84.95 -32.63 22.94 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.431 1.093 . . . . 0.0 113.596 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -19.23 63.75 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -172.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -64.53 -18.52 64.9 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.6 mt -96.23 5.88 50.03 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -170.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.58 120.96 21.71 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 121.213 -0.929 . . . . 0.0 110.313 165.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -87.94 -33.47 18.45 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -172.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -109.18 -19.17 13.43 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.306 1.443 . . . . 0.0 114.834 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.49 71.57 1.31 Allowed Glycine 0 C--O 1.224 -0.502 0 CA-C-N 119.394 0.997 . . . . 0.0 112.729 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -132.02 4.44 4.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.542 1.537 . . . . 0.0 113.331 172.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.8 t30 61.37 22.41 12.8 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 127.622 2.369 . . . . 0.0 114.836 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 pt -131.74 150.24 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 C-N-CA 124.739 1.216 . . . . 0.0 111.588 171.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.2 mm -98.12 110.45 25.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 172.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -143.28 169.14 18.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.688 1.595 . . . . 0.0 111.935 -170.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.48 -16.08 33.17 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 116.166 1.913 . . . . 0.0 116.166 -168.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.67 -14.55 58.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.18 149.85 40.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 120.196 1.362 . . . . 0.0 113.577 171.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.08 -30.36 69.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.1 -17.55 32.56 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -54.42 -47.95 72.21 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 120.31 1.414 . . . . 0.0 113.78 -167.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.86 -11.32 60.55 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 124.135 0.974 . . . . 0.0 113.229 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.0 m -85.23 -26.42 26.71 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.217 1.407 . . . . 0.0 113.696 172.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.94 149.34 47.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 121.268 -0.895 . . . . 0.0 112.325 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -135.52 156.71 48.44 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.887 1.275 . . . . 0.0 111.634 175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 93.3 t -110.97 137.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.439 1.496 . . . . 0.0 109.273 171.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -128.58 127.21 41.86 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.469 1.508 . . . . 0.0 113.377 -164.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -125.61 133.76 52.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.365 1.466 . . . . 0.0 112.147 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -79.21 67.24 4.88 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 119.648 1.113 . . . . 0.0 113.478 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.2 mt -60.08 -36.1 76.64 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.345 -1.472 . . . . 0.0 112.339 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -85.3 -8.3 58.56 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.638 1.175 . . . . 0.0 113.813 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 55.18 56.31 6.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.745 1.618 . . . . 0.0 113.241 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -153.42 147.84 25.99 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 127.205 2.202 . . . . 0.0 111.988 172.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.08 -13.54 57.74 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 120.254 -1.529 . . . . 0.0 116.356 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.5 tt -80.47 153.47 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 125.476 1.51 . . . . 0.0 112.563 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.49 145.94 52.3 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.379 1.471 . . . . 0.0 113.385 170.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -137.5 149.58 46.89 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 126.724 2.01 . . . . 0.0 109.269 157.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.28 97.12 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 120.195 -1.565 . . . . 0.0 114.726 -168.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -68.14 -8.12 35.73 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.949 1.3 . . . . 0.0 114.289 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -77.84 -13.8 59.77 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 172.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.6 154.95 19.21 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.184 1.394 . . . . 0.0 112.491 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -139.38 145.37 38.87 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 127.458 2.303 . . . . 0.0 110.055 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 78.9 p -70.1 165.68 21.46 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.801 0.841 . . . . 0.0 111.72 162.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 97.8 mt -74.54 -35.46 63.12 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.467 -0.771 . . . . 0.0 110.954 170.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -67.49 -37.82 83.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.33 -24.79 62.18 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 119.792 1.178 . . . . 0.0 113.231 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.7 -7.76 59.63 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.019 1.328 . . . . 0.0 113.543 171.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 72.22 36.73 59.87 Favored Glycine 0 CA--C 1.522 0.531 0 CA-C-N 119.194 0.906 . . . . 0.0 113.061 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 90.1 mt -90.63 135.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.89 1.345 . . . . 0.0 110.457 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -97.26 -45.56 6.46 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.929 1.691 . . . . 0.0 111.912 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 60.6 p -163.09 161.52 25.31 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 123.486 0.715 . . . . 0.0 112.209 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 mp -114.24 138.37 50.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.055 1.342 . . . . 0.0 109.666 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -85.87 126.67 34.24 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.321 1.049 . . . . 0.0 111.182 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.74 -12.73 60.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -75.86 139.13 41.53 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 119.43 1.014 . . . . 0.0 112.251 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -142.85 165.92 26.06 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 124.492 1.117 . . . . 0.0 111.751 175.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.707 1.603 . . . . 0.0 109.687 165.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -72.69 126.1 29.1 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 169.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.39 -31.26 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 43.84 61.74 2.19 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.439 1.895 . . . . 0.0 113.657 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -106.64 137.76 44.06 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.127 2.171 . . . . 0.0 112.531 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -74.56 137.62 42.5 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.988 0.915 . . . . 0.0 111.535 172.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.41 5.14 34.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.314 1.446 . . . . 0.0 113.532 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.91 -175.48 27.29 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 121.362 -0.836 . . . . 0.0 111.905 -155.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 54.87 18.83 2.34 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 125.402 1.481 . . . . 0.0 114.863 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.9 8.3 72.8 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 124.905 1.24 . . . . 0.0 115.367 -174.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -102.97 155.53 18.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 119.274 1.537 . . . . 0.0 112.284 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.4 m -130.93 136.42 48.56 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.742 1.217 . . . . 0.0 111.379 -174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.2 tp -89.3 108.47 19.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.035 1.334 . . . . 0.0 108.409 162.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -80.46 -49.5 11.33 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 117.863 0.302 . . . . 0.0 111.659 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -134.97 134.68 40.79 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.208 1.403 . . . . 0.0 110.288 -171.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -125.47 139.95 53.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.139 0.976 . . . . 0.0 111.862 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -154.75 -148.71 5.06 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 126.634 2.064 . . . . 0.0 112.213 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.2 p -148.38 167.59 24.85 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -130.64 161.97 30.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.988 1.315 . . . . 0.0 110.045 162.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 97.7 m -116.38 136.26 53.15 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.4 1.48 . . . . 0.0 110.946 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.71 156.26 16.64 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.401 1.88 . . . . 0.0 111.493 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 35.4 p -62.65 -23.4 67.07 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -174.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -73.54 4.74 4.51 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 125.946 1.698 . . . . 0.0 115.402 171.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 77.83 14.13 82.69 Favored Glycine 0 N--CA 1.446 -0.685 0 O-C-N 120.834 -1.166 . . . . 0.0 114.817 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 24.9 p -98.49 158.83 15.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 118.886 1.343 . . . . 0.0 112.285 173.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 38.7 m -106.64 150.8 25.85 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.762 1.225 . . . . 0.0 110.39 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -142.1 158.24 43.98 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 126.617 1.967 . . . . 0.0 111.469 -176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -84.87 144.22 28.54 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 120.951 -1.093 . . . . 0.0 113.317 -169.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 26.9 ptm -151.12 166.33 31.13 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.234 1.014 . . . . 0.0 112.209 163.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -174.02 170.86 44.03 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 123.175 0.417 . . . . 0.0 113.557 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -95.14 124.36 39.14 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.658 1.183 . . . . 0.0 110.557 174.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.64 150.34 26.32 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.74 1.216 . . . . 0.0 111.598 -175.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 10.0 mt -103.47 115.53 30.7 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 126.243 1.817 . . . . 0.0 106.801 166.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 84.3 mt -107.62 125.39 51.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.306 1.042 . . . . 0.0 108.659 -171.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -57.6 135.93 56.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 114.244 1.202 . . . . 0.0 114.244 -156.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -99.58 155.4 17.61 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 126.451 1.9 . . . . 0.0 111.519 174.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -66.14 124.05 21.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.195 -0.94 . . . . 0.0 111.645 -174.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 58.22 31.76 21.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.79 1.636 . . . . 0.0 113.811 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 58.9 tp -140.0 129.57 24.28 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.294 1.438 . . . . 0.0 111.284 -176.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -69.78 139.32 53.24 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.476 1.111 . . . . 0.0 112.149 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 28.2 m -78.16 40.87 0.35 Allowed 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.637 1.975 . . . . 0.0 113.619 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . 0.33 20.5 ptt-85 49.99 -16.24 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.508 1 C-N-CA 133.873 4.869 . . . . 0.0 120.899 177.109 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -140.09 148.71 42.13 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 121.375 1.898 . . . . 0.0 111.916 175.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 49.6 tp -129.95 -28.51 2.18 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.186 1.794 . . . . 0.0 112.879 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.44 -0.963 0 C-N-CA 125.691 1.597 . . . . 0.0 113.241 -170.041 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo . . . . . 0 N--CA 1.48 0.694 0 N-CA-C 112.948 0.326 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.38 131.5 46.61 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.133 0.573 . . . . 0.0 112.106 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.85 147.8 50.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 126.49 1.916 . . . . 0.0 112.42 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.6 142.23 46.23 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 126.639 1.976 . . . . 0.0 110.162 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -88.09 108.4 19.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.217 1.407 . . . . 0.0 110.95 176.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.06 -35.87 15.22 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -172.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 p-10 -95.34 -10.49 29.98 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 120.716 1.598 . . . . 0.0 114.661 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.54 49.88 2.87 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 115.733 1.053 . . . . 0.0 115.733 168.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -144.57 19.06 1.68 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.984 1.392 . . . . 0.0 114.028 175.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.83 170.83 45.62 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 125.67 1.605 . . . . 0.0 113.271 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.9 mm -76.47 132.84 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 121.175 -1.191 . . . . 0.0 110.82 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -119.82 144.45 47.32 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.014 1.726 . . . . 0.0 112.434 -174.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 p -129.35 144.87 51.41 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 124.752 1.221 . . . . 0.0 112.015 168.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 m -138.82 161.33 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 125.287 1.435 . . . . 0.0 111.495 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.8 149.13 40.94 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.235 1.014 . . . . 0.0 113.613 -174.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -74.17 134.74 42.79 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.323 1.049 . . . . 0.0 112.295 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -134.3 163.17 30.24 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.824 1.65 . . . . 0.0 111.974 -168.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.73 28.1 59.79 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.286 0.946 . . . . 0.0 114.701 174.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -128.51 133.22 48.38 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.087 1.355 . . . . 0.0 111.719 -166.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -137.64 104.19 5.25 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.284 1.434 . . . . 0.0 109.907 170.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.82 -10.43 72.17 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.804 1.192 . . . . 0.0 116.06 -169.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.2 p -52.92 -30.05 32.18 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 125.92 1.688 . . . . 0.0 114.335 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.9 tp -77.88 -19.26 55.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 125.694 1.598 . . . . 0.0 113.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -113.89 8.53 17.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.804 1.642 . . . . 0.0 113.466 -171.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.41 -20.81 61.04 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.173 1.789 . . . . 0.0 115.519 -164.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -82.93 -9.03 59.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.586 1.554 . . . . 0.0 114.987 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -81.78 129.43 34.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.983 1.265 . . . . 0.0 110.181 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -133.12 -3.06 3.14 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -120.65 -9.18 9.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -173.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.0 -179.95 52.82 Favored Glycine 0 CA--C 1.524 0.65 0 CA-C-N 119.539 1.063 . . . . 0.0 112.249 162.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tp -128.95 153.11 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 124.72 1.208 . . . . 0.0 112.062 176.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -147.73 175.84 10.59 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 127.695 2.398 . . . . 0.0 111.045 171.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 t -62.07 159.59 14.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.32 -51.62 7.27 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 121.457 -0.777 . . . . 0.0 112.701 170.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.4 p -142.54 -9.31 0.84 Allowed 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.07 140.56 3.86 Favored Glycine 0 N--CA 1.445 -0.702 0 O-C-N 120.601 -1.312 . . . . 0.0 113.817 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -118.28 172.8 7.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 127.336 2.254 . . . . 0.0 111.958 -167.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -50.22 125.06 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.601 1.56 . . . . 0.0 110.244 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 t -61.13 152.55 28.14 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 125.196 1.399 . . . . 0.0 112.177 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -10.92 12.48 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.56 -24.17 67.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 165.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -132.65 175.57 9.2 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 127.931 2.492 . . . . 0.0 112.054 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.03 151.4 23.29 Favored Glycine 0 N--CA 1.448 -0.528 0 O-C-N 121.284 -0.885 . . . . 0.0 115.111 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.39 137.16 33.55 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.2 1.4 . . . . 0.0 110.42 174.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.1 tp -74.9 129.35 37.52 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 123.846 0.859 . . . . 0.0 109.687 169.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.2 m -147.2 165.04 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 124.143 0.977 . . . . 0.0 113.541 -168.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -138.11 131.69 30.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 126.526 1.93 . . . . 0.0 109.381 166.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -85.03 89.58 7.64 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.448 -0.783 . . . . 0.0 110.093 170.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.1 mt -77.28 0.18 23.08 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 125.711 1.604 . . . . 0.0 115.142 -168.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -125.17 -3.87 7.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 125.35 1.46 . . . . 0.0 114.613 167.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.07 18.53 76.53 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 115.765 1.066 . . . . 0.0 115.765 175.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -74.58 -3.76 32.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.499 1.65 . . . . 0.0 115.134 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 -6.69 59.1 Favored Glycine 0 C--N 1.342 0.898 0 C-N-CA 127.257 2.36 . . . . 0.0 115.398 175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 pt -137.38 160.72 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 C-N-CA 125.554 1.541 . . . . 0.0 112.562 -171.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.1 106.96 20.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 C-N-CA 124.35 1.06 . . . . 0.0 109.183 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -136.16 -13.66 1.83 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -169.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -107.62 153.82 22.34 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.693 1.197 . . . . 0.0 112.933 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.44 -30.28 75.87 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 115.898 1.119 . . . . 0.0 115.898 -176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.47 -2.36 57.14 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 119.052 1.426 . . . . 0.0 114.039 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -82.29 -23.45 35.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.601 1.091 . . . . 0.0 112.846 -177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.24 153.3 21.59 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 125.484 1.514 . . . . 0.0 110.065 164.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -85.48 115.02 22.96 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 120.642 -1.286 . . . . 0.0 111.199 172.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 169.39 -160.95 34.39 Favored Glycine 0 C--O 1.221 -0.687 0 C-N-CA 124.193 0.901 . . . . 0.0 113.902 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -71.23 -5.63 33.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -170.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -92.66 4.32 53.9 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.764 1.225 . . . . 0.0 112.54 168.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -92.67 141.57 28.33 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.151 1.38 . . . . 0.0 110.536 172.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.48 138.7 33.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.551 1.141 . . . . 0.0 112.636 174.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -80.36 176.88 9.38 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.08 2.152 . . . . 0.0 111.572 173.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.09 66.15 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -93.9 -0.19 55.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 121.111 1.778 . . . . 0.0 113.543 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.65 -4.14 68.85 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.439 1.971 . . . . 0.0 114.723 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -70.19 142.85 52.39 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 119.658 1.729 . . . . 0.0 111.14 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -72.12 139.31 48.3 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.031 -1.043 . . . . 0.0 112.036 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.77 148.91 51.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.44 -32.49 62.65 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.904 -1.122 . . . . 0.0 112.405 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -159.99 165.71 31.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.097 1.359 . . . . 0.0 112.013 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.84 -32.38 79.24 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 125.906 1.717 . . . . 0.0 114.081 -174.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -70.38 -41.51 72.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.637 1.218 . . . . 0.0 111.839 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.43 86.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.113 0.869 . . . . 0.0 111.996 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.81 -35.97 81.29 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 174.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.2 tp -80.77 -36.44 31.88 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.267 1.027 . . . . 0.0 113.028 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.56 -20.58 63.43 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.711 1.204 . . . . 0.0 114.168 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -51.81 -27.37 12.2 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.939 1.296 . . . . 0.0 113.747 168.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.6 -2.74 40.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 125.636 1.574 . . . . 0.0 114.422 -169.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -72.34 115.59 11.77 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 121.204 1.82 . . . . 0.0 110.021 168.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.9 m -80.52 -18.91 47.07 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.198 1.799 . . . . 0.0 113.406 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -111.28 -21.86 11.66 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -161.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.2 39.17 37.57 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 119.097 0.862 . . . . 0.0 113.676 -169.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -116.26 6.63 13.85 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.408 1.483 . . . . 0.0 114.225 -175.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 60.43 17.59 7.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.924 2.09 . . . . 0.0 114.573 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 41.7 pt -131.95 151.1 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 124.629 1.171 . . . . 0.0 112.808 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mm -99.33 115.85 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 125.695 1.598 . . . . 0.0 108.331 167.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -151.06 173.23 14.6 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.288 1.835 . . . . 0.0 111.255 -170.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.18 -15.69 10.79 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -175.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.1 -22.47 63.02 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 120.914 -1.116 . . . . 0.0 113.766 171.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -77.38 135.56 38.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.504 1.122 . . . . 0.0 113.698 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.56 66.86 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.892 1.277 . . . . 0.0 113.704 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.34 -15.94 48.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -55.46 -35.31 65.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -161.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -82.25 -2.19 51.74 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.4 p -79.71 -23.68 42.19 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 120.928 -1.108 . . . . 0.0 113.858 168.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.03 142.45 52.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.903 1.281 . . . . 0.0 112.209 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -141.35 172.08 13.17 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.896 2.078 . . . . 0.0 110.441 174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.74 140.3 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.12 1.768 . . . . 0.0 110.321 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -116.61 121.01 40.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.454 1.502 . . . . 0.0 110.952 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -117.06 101.92 8.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.914 1.686 . . . . 0.0 109.93 177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -77.16 122.57 25.19 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 118.521 0.601 . . . . 0.0 111.199 -174.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.2 mt -89.08 -17.05 30.07 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -168.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -113.67 -4.42 13.44 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.525 1.53 . . . . 0.0 114.314 170.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 56.73 48.34 16.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.707 2.003 . . . . 0.0 113.942 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -96.16 -15.56 22.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.665 -1.272 . . . . 0.0 113.908 165.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.76 69.95 Favored Glycine 0 N--CA 1.449 -0.473 0 O-C-N 121.479 -0.763 . . . . 0.0 112.489 -173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 67.2 mt -121.03 116.11 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 125.718 1.607 . . . . 0.0 106.982 175.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -83.23 140.39 32.56 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -164.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -128.46 154.03 46.51 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 127.292 2.237 . . . . 0.0 109.852 167.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.4 -31.09 72.15 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -67.36 -12.21 59.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -90.75 -5.93 55.05 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.322 1.449 . . . . 0.0 113.344 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.68 154.07 19.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -142.17 155.76 45.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.611 1.964 . . . . 0.0 110.944 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 59.4 p -80.05 161.56 25.32 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 125.456 1.502 . . . . 0.0 111.857 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.71 -35.61 72.83 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.015 0.526 . . . . 0.0 111.448 171.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.69 -44.52 96.04 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.235 1.014 . . . . 0.0 113.19 177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.91 -16.9 62.13 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 120.605 -1.31 . . . . 0.0 114.246 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.8 mt -94.15 -10.69 32.37 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.831 1.653 . . . . 0.0 113.151 173.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.8 32.68 56.77 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 124.2 0.905 . . . . 0.0 114.6 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.7 mt -87.1 128.13 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 124.622 1.169 . . . . 0.0 109.942 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -101.12 -46.03 5.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.154 1.381 . . . . 0.0 112.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.4 p -161.03 161.98 31.6 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.726 0.811 . . . . 0.0 112.589 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.7 mp -119.25 138.15 53.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.934 1.693 . . . . 0.0 109.658 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -85.61 150.45 24.63 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 173.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -102.0 -3.76 27.18 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -94.23 148.3 22.33 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.501 1.12 . . . . 0.0 112.283 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -148.85 169.41 20.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -170.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -132.4 143.05 49.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.795 2.438 . . . . 0.0 110.953 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -74.99 127.86 34.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.405 1.082 . . . . 0.0 111.259 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.0 p -141.96 -24.91 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 54.09 38.38 28.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 165.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -70.88 127.87 34.09 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.715 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -74.4 124.61 26.84 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.803 0.841 . . . . 0.0 109.262 165.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 33.6 mt -111.65 12.44 21.17 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.88 170.16 28.84 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-O 122.191 0.884 . . . . 0.0 113.921 -174.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 51.16 28.05 3.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 126.45 1.9 . . . . 0.0 114.512 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.85 1.84 85.11 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.476 1.512 . . . . 0.0 115.549 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -87.54 147.17 25.46 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 119.039 1.419 . . . . 0.0 111.733 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 61.0 m -142.0 129.51 21.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.83 1.252 . . . . 0.0 110.744 -174.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.2 tt -95.54 113.55 25.22 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.282 1.033 . . . . 0.0 109.331 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.53 -55.72 4.99 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.665 0.786 . . . . 0.0 112.334 -173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -131.69 144.79 51.26 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 125.181 1.393 . . . . 0.0 111.675 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.87 149.75 52.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.196 0.999 . . . . 0.0 112.566 -171.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.06 -162.09 11.49 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 126.571 2.034 . . . . 0.0 112.582 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 77.9 p -112.42 159.28 18.89 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 116.481 2.03 . . . . 0.0 116.481 -173.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -138.35 160.11 40.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.736 1.614 . . . . 0.0 110.602 162.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.7 m -118.92 143.69 46.86 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 125.708 1.603 . . . . 0.0 111.073 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -101.98 167.8 9.81 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.285 1.834 . . . . 0.0 112.436 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.1 p -67.19 -22.62 65.72 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -78.98 -0.05 29.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 167.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.61 87.98 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 125.617 1.579 . . . . 0.0 115.937 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 56.3 p -72.87 156.11 39.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 119.567 1.683 . . . . 0.0 112.03 172.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 20.5 p -116.95 154.45 30.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 122.069 0.938 . . . . 0.0 113.122 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -146.15 172.8 12.89 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.152 2.181 . . . . 0.0 110.853 -165.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -100.19 146.26 27.07 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.083 1.353 . . . . 0.0 113.684 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.7 ptm -146.8 163.15 36.93 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 125.411 1.484 . . . . 0.0 110.868 168.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -169.35 170.29 42.5 Favored Glycine 0 C--N 1.331 0.267 0 O-C-N 121.182 -0.949 . . . . 0.0 114.271 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -98.18 132.61 43.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.428 1.091 . . . . 0.0 111.67 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.7 mp -111.25 136.04 50.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.202 1.001 . . . . 0.0 111.743 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 80.4 mt -84.28 109.01 17.46 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.469 1.507 . . . . 0.0 107.184 156.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 78.8 mt -89.42 140.88 29.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.802 0.841 . . . . 0.0 110.781 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -80.03 116.06 19.95 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 163.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -140.83 133.68 29.03 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -166.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -102.83 144.29 31.34 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.499 1.519 . . . . 0.0 112.146 177.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -94.89 -9.31 34.63 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 124.004 0.922 . . . . 0.0 112.598 169.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 51.0 mt -107.1 156.22 19.01 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.676 1.59 . . . . 0.0 110.713 174.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -107.27 -34.03 7.23 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 9.7 t -120.97 -30.26 4.42 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.091 1.757 . . . . 0.0 112.727 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -90.22 119.34 30.45 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.562 1.545 . . . . 0.0 111.829 -174.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -90.92 -40.12 11.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.026 1.33 . . . . 0.0 111.186 170.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 95.3 mt -132.13 149.43 52.4 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.596 2.358 . . . . 0.0 110.674 175.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 126.601 1.961 . . . . 0.0 113.685 -178.147 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.336 0 N-CA-C 113.262 0.447 . . . . 0.0 113.262 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.29 133.11 47.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.52 154.15 49.9 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.515 1.926 . . . . 0.0 112.871 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 mp -119.87 138.33 53.47 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 126.365 1.866 . . . . 0.0 110.636 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -78.96 115.11 18.44 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.214 1.006 . . . . 0.0 110.159 167.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.0 mt -88.17 -33.85 18.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -168.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -105.78 -16.96 14.53 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.615 1.566 . . . . 0.0 113.803 -175.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 48.33 2.91 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 120.134 1.334 . . . . 0.0 115.221 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -137.88 9.31 2.81 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 171.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 155.74 11.17 Favored Glycine 0 C--N 1.338 0.673 0 C-N-CA 125.817 1.675 . . . . 0.0 113.064 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.9 mt -77.79 109.1 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.68 139.17 31.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.249 1.02 . . . . 0.0 112.386 -171.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -133.55 164.44 27.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.981 1.312 . . . . 0.0 112.928 -173.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.21 164.47 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.462 1.505 . . . . 0.0 110.508 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.13 -36.61 3.55 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.832 1.253 . . . . 0.0 113.122 169.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.6 p -65.24 156.27 32.46 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 172.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -129.77 142.52 50.68 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.877 1.671 . . . . 0.0 110.89 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.13 177.36 12.22 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 123.26 0.457 . . . . 0.0 114.07 -172.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -52.38 108.82 0.33 Allowed 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.304 1.041 . . . . 0.0 113.397 -168.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.9 m 50.71 12.88 0.11 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 127.457 2.303 . . . . 0.0 117.099 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.78 11.87 66.7 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 124.898 1.237 . . . . 0.0 115.514 -169.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 m -79.23 -18.38 52.97 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -162.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -143.34 151.16 40.14 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.856 2.062 . . . . 0.0 110.408 173.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -102.19 156.18 17.73 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 124.91 1.284 . . . . 0.0 111.472 165.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -81.76 131.79 35.27 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.672 1.189 . . . . 0.0 110.198 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -73.52 -16.66 61.27 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -72.99 140.09 47.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.527 1.058 . . . . 0.0 111.19 174.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -48.55 -52.17 24.04 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 126.068 1.747 . . . . 0.0 114.5 -170.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.23 18.54 12.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.852 1.261 . . . . 0.0 114.203 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.57 -176.04 50.72 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 125.142 1.353 . . . . 0.0 114.752 172.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.8 pt -62.36 133.07 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.296 1.038 . . . . 0.0 112.57 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -153.88 -18.02 0.14 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -170.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.8 p -140.03 145.21 37.46 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 124.306 1.042 . . . . 0.0 112.522 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.42 50.33 1.95 Allowed 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.104 1.762 . . . . 0.0 112.798 -172.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.1 p -80.0 150.98 30.24 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.021 0.928 . . . . 0.0 111.84 176.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA3' ' H ' ' A' ' 169' ' ' ALA . . . -68.67 151.0 51.24 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 116.054 1.182 . . . . 0.0 116.054 -167.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -154.04 172.37 17.59 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.627 1.171 . . . . 0.0 111.815 174.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.42 136.62 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 124.52 1.128 . . . . 0.0 110.052 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -58.71 153.11 17.36 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.849 -1.157 . . . . 0.0 111.813 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.28 -11.9 4.77 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.62 -41.84 87.71 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.128 1.371 . . . . 0.0 113.161 170.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -117.26 -169.93 1.75 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.073 2.149 . . . . 0.0 112.61 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.09 159.35 28.3 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -92.11 139.2 30.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 127.238 2.215 . . . . 0.0 110.162 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.6 tp -75.35 135.46 40.85 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 121.189 -0.945 . . . . 0.0 110.778 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.32 159.26 15.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.615 0 C-N-CA 125.015 1.326 . . . . 0.0 113.368 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -145.85 131.52 18.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 126.22 1.808 . . . . 0.0 109.837 169.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -81.94 130.95 35.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 118.911 0.778 . . . . 0.0 112.418 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.16 -6.95 22.64 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.586 1.555 . . . . 0.0 114.339 -169.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -136.84 -5.37 1.93 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.91 22.26 69.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-O 118.575 -1.125 . . . . 0.0 115.805 170.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -91.34 5.57 48.74 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.15 74.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 116.476 1.35 . . . . 0.0 116.476 172.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.9 pt -129.68 144.46 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 C-N-CA 126.458 1.903 . . . . 0.0 110.356 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -82.14 110.31 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 170.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -146.98 -20.07 0.4 Allowed 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.426 1.491 . . . . 0.0 114.966 -172.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -85.55 9.04 17.08 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.759 -1.213 . . . . 0.0 114.261 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.88 -66.68 1.75 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 125.611 1.577 . . . . 0.0 114.407 173.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.96 7.54 0.68 Allowed 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.101 1.76 . . . . 0.0 114.817 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -72.11 -23.6 61.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 125.826 1.651 . . . . 0.0 111.633 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.62 157.41 28.7 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.539 1.936 . . . . 0.0 110.195 163.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 88.5 m-85 -96.79 106.9 19.28 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.844 -1.16 . . . . 0.0 111.031 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.21 -161.68 24.61 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 125.337 1.446 . . . . 0.0 113.482 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -70.01 -13.52 62.27 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -171.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.11 -8.38 56.88 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 120.834 -1.166 . . . . 0.0 113.729 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.1 m -78.02 140.82 39.17 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 120.181 1.355 . . . . 0.0 112.647 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.0 142.86 27.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.569 1.147 . . . . 0.0 112.141 167.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.27 179.38 6.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 126.772 2.029 . . . . 0.0 110.889 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.86 -29.41 41.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 116.62 2.081 . . . . 0.0 116.62 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 p30 -91.58 -5.76 53.47 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.574 1.079 . . . . 0.0 113.856 177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.35 77.48 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.159 1.361 . . . . 0.0 115.79 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.2 p -72.75 152.22 41.73 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 119.017 1.408 . . . . 0.0 111.273 167.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -77.47 145.97 36.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 120.814 -1.179 . . . . 0.0 112.341 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 152.18 43.88 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.017 1.727 . . . . 0.0 112.007 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -76.53 -39.78 51.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 123.919 0.888 . . . . 0.0 112.383 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -159.04 168.45 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.692 1.597 . . . . 0.0 112.43 -167.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.8 -31.86 81.75 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.027 1.299 . . . . 0.0 114.352 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -70.22 -32.02 69.7 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.27 1.535 . . . . 0.0 112.83 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.55 -40.5 66.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 118.723 0.692 . . . . 0.0 111.924 170.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.6 99.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.274 1.03 . . . . 0.0 112.753 176.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -73.61 -33.38 64.56 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.687 0.795 . . . . 0.0 112.716 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -21.26 65.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.97 -15.98 47.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 171.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.9 mt -96.9 -5.29 38.42 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 125.392 1.477 . . . . 0.0 114.893 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -74.96 110.76 9.52 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 119.354 0.979 . . . . 0.0 110.275 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.8 p -77.75 -36.81 50.29 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -168.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -107.34 -17.6 14.09 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -168.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.13 14.31 54.67 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.4 p30 -74.86 -7.29 53.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.267 1.533 . . . . 0.0 113.379 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.279 8.6 t30 57.25 36.74 27.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.706 2.402 . . . . 0.0 115.714 -176.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.1 pt -131.89 155.68 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.757 1.623 . . . . 0.0 110.311 160.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.7 mm -100.94 112.35 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -142.82 170.37 15.82 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.709 1.604 . . . . 0.0 111.303 -171.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.87 -15.56 55.21 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 -168.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.29 -22.73 57.54 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 120.044 1.293 . . . . 0.0 113.556 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -67.78 125.89 27.68 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 119.828 1.195 . . . . 0.0 112.131 171.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.71 69.41 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -170.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.03 -17.45 62.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.53 -27.21 66.0 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 120.451 -1.405 . . . . 0.0 114.165 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -75.6 -24.65 56.56 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.749 -1.22 . . . . 0.0 113.866 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.4 m -88.3 -13.81 39.89 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.816 1.246 . . . . 0.0 114.021 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.57 144.24 57.35 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 119.591 1.087 . . . . 0.0 111.5 175.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -141.17 166.0 25.99 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 127.283 2.233 . . . . 0.0 110.128 171.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.44 124.33 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 124.525 1.13 . . . . 0.0 109.125 171.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -95.3 120.93 36.38 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.669 1.187 . . . . 0.0 110.912 176.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -114.81 97.7 6.41 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.757 1.623 . . . . 0.0 108.206 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -81.63 114.79 20.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.291 0.567 . . . . 0.0 110.298 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.05 -4.43 41.3 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.569 1.147 . . . . 0.0 113.463 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -113.49 -13.04 12.85 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.458 1.903 . . . . 0.0 113.106 171.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 52.13 23.79 2.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.159 1.784 . . . . 0.0 114.268 -159.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 58.3 p-10 -81.02 -29.75 35.06 Favored 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.629 -1.294 . . . . 0.0 113.835 -172.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.69 20.54 47.1 Favored Glycine 0 C--N 1.338 0.674 0 CA-C-O 118.409 -1.217 . . . . 0.0 113.941 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.15 112.07 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.787 1.635 . . . . 0.0 107.07 167.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.7 p -80.53 148.91 30.2 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.606 1.548 . . . . 0.0 113.708 -172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -128.39 158.25 38.78 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.835 1.654 . . . . 0.0 111.028 168.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.29 71.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -172.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -77.33 -8.79 58.23 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.619 1.968 . . . . 0.0 114.481 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -91.85 -19.46 22.49 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.321 1.448 . . . . 0.0 112.977 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.65 111.02 23.34 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.094 1.358 . . . . 0.0 109.461 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -108.27 157.17 18.58 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.765 2.026 . . . . 0.0 112.443 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 71.3 p -82.83 163.34 21.25 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 125.398 1.479 . . . . 0.0 113.478 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.29 -39.27 78.42 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.304 0.642 . . . . 0.0 111.81 169.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.46 -29.39 64.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -175.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -77.74 -18.81 56.13 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 119.619 1.1 . . . . 0.0 113.346 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 96.2 mt -90.57 -0.07 57.54 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.367 1.467 . . . . 0.0 112.67 168.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 70.06 23.71 76.97 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 124.736 1.16 . . . . 0.0 114.414 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.4 mt -81.43 133.99 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 119.441 1.62 . . . . 0.0 110.917 -172.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -108.44 -42.09 4.67 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.436 1.494 . . . . 0.0 112.929 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 92.7 p -158.23 163.36 37.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 119.115 0.871 . . . . 0.0 112.718 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.66 136.24 54.02 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 125.754 1.622 . . . . 0.0 108.782 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -86.61 142.05 28.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.093 0.957 . . . . 0.0 111.267 177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -94.18 -7.58 41.86 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 175.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.72 143.42 36.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 119.397 0.999 . . . . 0.0 111.77 170.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -150.05 169.77 20.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.553 1.141 . . . . 0.0 112.512 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -113.07 138.9 49.21 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.642 1.977 . . . . 0.0 108.929 164.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.16 124.92 28.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 165.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 30.0 m -132.55 -26.95 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 45.94 41.71 8.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.658 1.983 . . . . 0.0 114.969 170.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -75.74 128.31 34.91 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.836 1.654 . . . . 0.0 111.41 -174.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.99 144.21 48.93 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.67 0.788 . . . . 0.0 110.645 167.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 68.0 mt -115.75 4.85 14.07 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.02 1.328 . . . . 0.0 113.568 -172.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 73.44 13.99 79.67 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 125.893 1.711 . . . . 0.0 116.649 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -141.61 2.39 1.61 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -174.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 108.35 -19.44 31.78 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 125.691 1.615 . . . . 0.0 114.856 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -89.4 154.12 20.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 119.345 1.572 . . . . 0.0 112.053 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.5 m -134.16 129.41 35.81 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.39 1.076 . . . . 0.0 110.297 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.97 101.61 13.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.048 0.939 . . . . 0.0 109.453 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.97 -52.38 13.0 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.954 0.901 . . . . 0.0 112.764 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -133.82 137.3 45.0 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.925 1.69 . . . . 0.0 109.999 -173.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -130.59 138.18 50.01 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.28 1.032 . . . . 0.0 112.581 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -146.43 -154.35 6.16 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 126.946 2.213 . . . . 0.0 111.324 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.1 m -131.54 161.39 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.953 0.901 . . . . 0.0 113.217 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.38 159.48 30.28 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.067 1.747 . . . . 0.0 109.838 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.0 m -112.42 132.71 54.89 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.839 1.256 . . . . 0.0 111.161 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -91.56 160.42 15.42 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.515 1.526 . . . . 0.0 112.115 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 21.7 p -63.05 -16.35 59.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -77.9 -2.28 35.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 169.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 87.24 -3.88 86.47 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 126.244 1.878 . . . . 0.0 115.256 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 18.8 m -85.97 152.5 22.88 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.52 1.528 . . . . 0.0 110.938 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.2 p -111.77 140.45 46.4 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.952 1.301 . . . . 0.0 112.943 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -131.89 161.54 32.78 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.361 1.864 . . . . 0.0 110.96 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -81.3 141.52 33.99 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.394 1.078 . . . . 0.0 113.144 -167.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -145.98 163.65 34.52 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.722 0.809 . . . . 0.0 111.643 167.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.97 178.79 48.91 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 121.223 -0.513 . . . . 0.0 114.258 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.48 121.16 41.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 125.08 1.352 . . . . 0.0 110.847 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.6 123.67 46.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.369 1.468 . . . . 0.0 111.493 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 71.2 mt -78.48 125.94 30.06 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 159.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.2 mt -91.99 140.88 29.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.511 0.724 . . . . 0.0 111.65 -169.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.402 ' H ' ' HA3' ' A' ' 36' ' ' GLY . . . -56.97 156.57 6.66 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.705 1.602 . . . . 0.0 115.174 -176.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -111.63 153.64 26.05 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.623 1.569 . . . . 0.0 112.001 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -77.09 155.34 32.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.393 1.077 . . . . 0.0 112.245 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -76.88 -15.54 59.66 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 44.7 mt 62.17 24.86 14.84 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 127.103 2.161 . . . . 0.0 115.701 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.87 139.52 37.39 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 124.477 1.111 . . . . 0.0 109.705 166.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 80.0 p -70.92 -33.32 70.41 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.43 -0.794 . . . . 0.0 112.863 174.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 82.4 mtm-85 57.83 22.27 8.41 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 127.158 2.183 . . . . 0.0 115.569 -168.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 61.6 -25.62 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 119.715 3.228 . . . . 0.0 119.715 167.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 86.0 mt -124.6 7.95 8.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.942 2.097 . . . . 0.0 113.934 -168.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 . . . . . 0 C--O 1.256 1.438 0 C-N-CA 127.407 2.283 . . . . 0.0 111.484 -174.2 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.286 0 CA-C-O 118.876 -0.552 . . . . 0.0 112.387 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.27 127.14 30.04 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 119.183 0.901 . . . . 0.0 112.366 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.43 149.06 52.28 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 127.875 2.47 . . . . 0.0 111.888 -178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -119.46 138.63 53.01 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.521 1.928 . . . . 0.0 110.867 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 10' ' ' GLY . 17.7 t0 -81.39 98.86 8.4 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.902 1.281 . . . . 0.0 109.652 166.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -89.85 -30.8 17.67 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -170.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -96.97 -10.88 25.39 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.87 44.97 3.74 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 164.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -142.95 17.62 1.95 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 173.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' H ' ' CG ' ' A' ' 5' ' ' ASP . . . 110.29 158.61 16.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 126.93 2.205 . . . . 0.0 114.715 176.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -72.79 126.45 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -147.36 158.34 43.93 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.263 1.025 . . . . 0.0 113.12 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.6 p -143.33 165.11 28.4 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -165.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -111.36 151.08 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 C-N-CA 126.024 1.73 . . . . 0.0 112.1 172.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.99 168.28 18.01 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 125.161 1.385 . . . . 0.0 113.821 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 t -148.58 1.61 0.6 Allowed 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt 51.28 54.11 11.72 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.219 1.808 . . . . 0.0 112.752 -170.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.4 167.64 40.39 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 126.827 2.156 . . . . 0.0 111.125 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -135.46 -4.63 2.31 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.279 1.432 . . . . 0.0 113.746 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -61.34 124.28 20.15 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 119.176 0.898 . . . . 0.0 111.415 -172.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.18 0.43 70.72 Favored Glycine 0 C--N 1.346 1.104 0 N-CA-C 116.28 1.272 . . . . 0.0 116.28 -176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.1 t -102.68 -40.02 6.79 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.219 1.408 . . . . 0.0 111.385 163.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.5 mt -98.01 -162.13 0.93 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.76 1.624 . . . . 0.0 109.698 163.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -133.11 -52.18 0.9 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -166.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -73.82 -37.7 64.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -164.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -95.95 9.03 42.02 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.276 1.43 . . . . 0.0 113.563 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -66.48 154.21 40.87 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.599 1.16 . . . . 0.0 112.712 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -106.87 171.13 7.53 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.753 1.621 . . . . 0.0 111.725 165.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.1 156.51 17.64 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 124.334 1.054 . . . . 0.0 111.569 165.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.4 168.93 22.85 Favored Glycine 0 C--N 1.342 0.897 0 C-N-CA 125.659 1.6 . . . . 0.0 114.801 176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.0 mt -65.02 137.3 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 C-N-CA 125.721 1.608 . . . . 0.0 110.781 -175.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -63.97 153.03 38.41 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 p -124.17 -11.25 7.53 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 126.609 1.964 . . . . 0.0 114.085 173.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.8 145.15 44.18 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 125.3 1.44 . . . . 0.0 109.759 161.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.7 m -127.47 116.46 20.45 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.478 0.711 . . . . 0.0 111.961 -165.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.29 135.41 13.44 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 155.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -149.7 169.1 21.8 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 117.908 0.854 . . . . 0.0 112.231 -168.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -64.0 153.73 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 124.544 1.138 . . . . 0.0 112.631 166.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.84 151.72 10.98 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 121.909 -0.494 . . . . 0.0 111.994 166.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.21 66.0 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 121.129 -0.982 . . . . 0.0 113.178 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -81.53 -2.24 49.13 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -106.98 -170.87 1.78 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 126.722 2.009 . . . . 0.0 111.145 166.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.82 164.91 37.71 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 115.492 0.957 . . . . 0.0 115.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.78 140.8 35.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.173 1.389 . . . . 0.0 111.033 176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.3 tp -81.25 128.63 34.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.381 0.672 . . . . 0.0 110.183 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.09 167.35 4.47 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 124.585 1.154 . . . . 0.0 113.567 -170.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.93 146.22 22.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 126.207 1.803 . . . . 0.0 111.039 166.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -77.66 130.6 37.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.431 0.692 . . . . 0.0 111.481 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.7 mt -105.21 -7.56 18.92 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 126.022 1.729 . . . . 0.0 114.783 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.26 10.48 4.5 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -172.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.08 18.28 78.76 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 116.817 1.487 . . . . 0.0 116.817 170.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -99.83 -1.11 38.35 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.01 -5.22 50.55 Favored Glycine 0 C--O 1.222 -0.596 0 C-N-CA 126.48 1.991 . . . . 0.0 116.965 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 pt -123.03 165.7 18.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 C-N-CA 125.439 1.495 . . . . 0.0 111.609 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.7 mm -96.58 120.1 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.686 1.195 . . . . 0.0 109.944 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -151.44 -20.74 0.2 Allowed 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -97.94 148.4 23.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 119.85 1.205 . . . . 0.0 111.232 173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.89 -28.98 69.38 Favored Glycine 0 C--N 1.339 0.728 0 O-C-N 120.705 -1.247 . . . . 0.0 115.024 -173.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.97 -8.12 59.17 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.32 -21.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.665 1.186 . . . . 0.0 113.201 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.6 mt -76.72 154.53 34.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.092 1.357 . . . . 0.0 109.611 161.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 46.4 m-85 -88.76 112.21 22.91 Favored 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 120.452 -1.405 . . . . 0.0 110.906 174.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.24 -165.74 32.97 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.937 1.256 . . . . 0.0 112.279 -175.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.6 p-10 -78.55 17.44 0.68 Allowed 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -105.11 -10.89 16.86 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.127 1.371 . . . . 0.0 112.546 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 m -71.95 136.92 47.0 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.542 1.537 . . . . 0.0 110.352 169.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -88.77 144.65 26.1 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.611 1.164 . . . . 0.0 111.917 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.74 169.64 17.46 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.842 2.057 . . . . 0.0 109.708 164.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -24.2 66.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.72 -9.58 59.79 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.78 -7.7 63.21 Favored Glycine 0 C--O 1.222 -0.642 0 C-N-CA 125.79 1.662 . . . . 0.0 116.707 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 84.9 p -75.55 159.44 31.26 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 119.362 1.581 . . . . 0.0 112.254 168.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -78.67 148.7 33.05 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.591 -1.318 . . . . 0.0 112.667 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 151.11 47.45 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.681 1.193 . . . . 0.0 111.977 170.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -69.02 -35.58 76.8 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.51 177.62 9.31 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.357 1.863 . . . . 0.0 111.566 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.73 -38.97 90.5 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 125.403 1.478 . . . . 0.0 115.472 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -70.0 -27.78 64.97 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 119.602 1.701 . . . . 0.0 113.372 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.39 -35.45 54.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 O-C-N 120.813 -1.18 . . . . 0.0 112.402 170.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.4 84.25 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.757 1.223 . . . . 0.0 113.587 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.95 -33.31 45.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.956 0.902 . . . . 0.0 112.411 176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.68 -21.94 66.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -58.52 -18.91 33.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.817 1.247 . . . . 0.0 114.204 171.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.1 mt -101.85 -2.18 30.53 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -76.14 118.6 19.05 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 119.936 1.244 . . . . 0.0 110.465 172.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.7 p -89.67 -25.65 21.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -168.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -111.11 -17.83 13.15 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.39 1.476 . . . . 0.0 113.565 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.56 27.47 38.92 Favored Glycine 0 CA--C 1.519 0.327 0 CA-C-N 118.997 0.817 . . . . 0.0 114.173 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -80.31 -1.04 39.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 119.345 1.572 . . . . 0.0 113.76 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 71.41 18.41 5.54 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.057 2.143 . . . . 0.0 114.316 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -130.97 152.57 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 C-N-CA 124.721 1.208 . . . . 0.0 112.329 168.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.5 mm -99.07 114.35 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 C-N-CA 124.682 1.193 . . . . 0.0 108.277 170.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -147.04 172.33 13.91 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.385 1.474 . . . . 0.0 111.446 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.27 -16.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 -167.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.01 60.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.8 132.42 35.28 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 124.921 1.288 . . . . 0.0 111.783 166.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.0 -29.64 67.39 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -171.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.23 -19.19 51.3 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -56.38 -44.18 79.93 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 120.232 1.378 . . . . 0.0 114.266 -168.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -78.9 -8.64 59.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 120.75 -1.219 . . . . 0.0 113.557 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 m -91.04 -25.83 19.48 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.594 1.557 . . . . 0.0 113.143 170.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.0 153.61 29.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 119.163 0.892 . . . . 0.0 111.253 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -134.24 163.02 30.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.581 1.552 . . . . 0.0 109.265 172.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.3 t -117.83 130.45 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -105.04 122.43 45.85 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.05 1.34 . . . . 0.0 110.266 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.86 98.26 6.73 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.151 1.38 . . . . 0.0 108.632 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -79.38 100.12 7.48 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.808 0.813 . . . . 0.0 110.043 -174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.9 mt -67.99 -18.1 64.62 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -112.52 5.56 18.02 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 170.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 55.46 29.14 12.73 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 127.784 2.434 . . . . 0.0 115.652 169.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -93.74 -16.5 24.15 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 120.936 -1.103 . . . . 0.0 113.571 -177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.69 17.45 72.99 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.525 1.057 . . . . 0.0 114.309 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.63 129.92 57.85 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 118.794 1.297 . . . . 0.0 107.532 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -96.73 138.82 33.71 Favored 'General case' 0 N--CA 1.444 -0.76 0 O-C-N 121.224 -0.922 . . . . 0.0 113.249 -164.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -141.2 151.2 43.6 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.512 1.525 . . . . 0.0 111.008 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.67 -34.08 72.39 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -58.0 -23.58 54.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 172.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -94.22 -4.58 48.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.441 1.496 . . . . 0.0 113.127 -177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -98.87 151.82 20.42 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.323 1.449 . . . . 0.0 112.292 -177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -141.24 150.55 42.78 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 126.143 1.777 . . . . 0.0 111.39 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -77.51 156.68 30.84 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.886 1.674 . . . . 0.0 111.742 165.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.32 -36.73 85.07 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 121.582 -0.699 . . . . 0.0 111.925 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.99 -37.25 86.71 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.83 -30.36 70.97 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.8 mt -87.43 -5.08 58.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 171.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 76.89 24.32 67.18 Favored Glycine 0 C--N 1.34 0.754 0 CA-C-N 119.535 1.061 . . . . 0.0 115.102 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.6 mt -85.36 128.66 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.745 1.218 . . . . 0.0 109.925 -176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.6 -47.22 7.81 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.467 1.507 . . . . 0.0 111.555 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 70.9 p -162.18 164.34 27.9 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.203 1.001 . . . . 0.0 113.039 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 mt -114.58 138.06 51.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.517 1.927 . . . . 0.0 110.627 173.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.38 143.64 44.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.155 0.889 . . . . 0.0 112.469 170.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -97.91 -2.72 40.05 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.586 1.154 . . . . 0.0 113.406 162.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -78.78 139.73 38.35 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 124.072 0.949 . . . . 0.0 111.159 167.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -155.22 163.73 39.78 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.599 1.16 . . . . 0.0 112.824 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -112.56 140.3 47.43 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 127.47 2.308 . . . . 0.0 110.486 166.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -75.0 114.36 13.38 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 118.767 0.712 . . . . 0.0 110.284 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.41 -25.52 3.38 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 C-N-CA 124.5 1.12 . . . . 0.0 113.589 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.4 m120 48.86 39.65 14.71 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.517 1.927 . . . . 0.0 115.486 167.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -81.54 115.68 20.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.629 1.172 . . . . 0.0 110.787 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -73.37 121.55 20.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 159.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.14 -9.79 59.0 Favored 'General case' 0 C--O 1.225 -0.212 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -168.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 87.73 17.17 58.72 Favored Glycine 0 C--O 1.218 -0.874 0 C-N-CA 125.182 1.373 . . . . 0.0 114.233 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -140.87 7.24 2.05 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.36 1.464 . . . . 0.0 114.768 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 107.22 -26.15 19.69 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.12 1.819 . . . . 0.0 114.532 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.01 159.9 15.89 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 119.741 1.77 . . . . 0.0 112.367 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.5 m -139.34 134.01 31.92 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.127 -0.983 . . . . 0.0 111.627 -173.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.7 tp -108.76 107.8 18.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.61 1.164 . . . . 0.0 109.717 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -84.82 -48.89 8.91 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -128.11 146.92 50.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.51 1.524 . . . . 0.0 110.708 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -138.44 135.08 34.86 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.64 0.776 . . . . 0.0 113.006 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -137.39 -148.85 5.48 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.909 2.671 . . . . 0.0 110.882 170.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.3 p -141.05 168.06 20.69 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 122.037 0.922 . . . . 0.0 113.303 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -135.86 159.2 42.39 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 126.28 1.832 . . . . 0.0 110.765 171.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 61.5 m -116.14 134.85 54.48 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 -172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -102.14 158.39 16.2 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.188 1.395 . . . . 0.0 111.97 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 41.1 p -66.3 -25.78 67.01 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -82.75 24.95 0.69 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.836 1.654 . . . . 0.0 114.197 172.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 80.3 -8.12 54.2 Favored Glycine 0 C--N 1.341 0.852 0 N-CA-C 117.056 1.582 . . . . 0.0 117.056 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 58.8 p -83.36 155.43 23.53 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 119.952 1.876 . . . . 0.0 112.431 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 34.9 p -120.31 150.15 41.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.877 0.871 . . . . 0.0 111.481 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -143.72 162.37 36.16 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.722 1.209 . . . . 0.0 111.881 -173.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -79.17 140.15 37.82 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 124.126 0.97 . . . . 0.0 113.312 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.8 ptm -143.78 159.81 41.85 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.033 0.933 . . . . 0.0 111.206 166.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -173.11 168.17 41.11 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 114.257 -176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -88.14 104.92 17.14 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.424 1.089 . . . . 0.0 110.65 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 24.8 tp -108.76 112.2 24.35 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.77 2.028 . . . . 0.0 109.035 -170.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 21.1 mt -81.32 124.12 29.09 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.978 1.311 . . . . 0.0 109.824 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 50.2 mt -98.63 131.06 45.12 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.694 1.597 . . . . 0.0 109.855 -166.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -76.9 145.31 38.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 121.735 -0.603 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -145.48 167.78 22.16 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.483 1.113 . . . . 0.0 111.415 174.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -58.62 128.89 39.43 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.675 1.19 . . . . 0.0 112.572 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -78.54 174.69 11.08 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.672 0.789 . . . . 0.0 110.183 165.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 41.2 tp -69.73 -34.07 73.34 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -163.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -85.92 122.76 30.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.375 0.989 . . . . 0.0 113.612 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 70.8 m 50.39 29.07 3.62 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 127.519 2.328 . . . . 0.0 117.228 169.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 61.16 -43.67 0.12 Allowed 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 130.118 3.367 . . . . 0.0 116.381 -177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -121.07 142.7 49.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.629 1.572 . . . . 0.0 111.692 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.56 166.16 21.18 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.293 1.437 . . . . 0.0 111.55 167.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.638 1.575 . . . . 0.0 114.352 -172.621 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.3 Cg_exo . . . . . 0 N--CA 1.472 0.21 0 N-CA-C 112.653 0.213 . . . . 0.0 112.653 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.5 mt -63.38 122.1 15.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.79 150.86 38.44 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 127.102 2.161 . . . . 0.0 111.158 170.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.88 138.94 51.18 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.533 1.533 . . . . 0.0 110.203 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -79.07 107.11 11.59 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.001 0.92 . . . . 0.0 109.555 168.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -83.73 -24.11 31.31 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -113.91 -8.32 13.13 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.56 40.8 4.94 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-N 120.256 1.389 . . . . 0.0 115.333 172.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -136.3 23.39 3.23 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.976 1.388 . . . . 0.0 114.409 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.4 171.68 48.36 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 126.504 2.002 . . . . 0.0 113.165 -171.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -91.91 118.89 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 118.517 1.159 . . . . 0.0 109.391 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -88.5 140.28 29.62 Favored 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 124.331 1.052 . . . . 0.0 111.993 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.9 p -126.08 152.71 45.49 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.802 1.241 . . . . 0.0 112.323 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -145.37 168.45 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 C-N-CA 127.339 2.256 . . . . 0.0 111.106 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.61 153.12 40.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.105 -0.997 . . . . 0.0 111.809 167.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -129.21 156.18 44.36 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.684 1.194 . . . . 0.0 112.111 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -97.76 -8.56 28.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.62 1.968 . . . . 0.0 111.625 169.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' HA3' ' HA3' ' A' ' 112' ' ' GLY . . . -73.04 166.56 54.51 Favored Glycine 0 N--CA 1.442 -0.954 0 C-N-CA 125.568 1.556 . . . . 0.0 113.92 173.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 51.43 32.26 8.41 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 125.686 1.594 . . . . 0.0 114.437 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -129.58 -12.27 4.39 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 127.601 2.361 . . . . 0.0 113.268 -169.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.16 15.87 3.09 Favored Glycine 0 CA--C 1.522 0.516 0 C-N-CA 126.323 1.916 . . . . 0.0 117.029 -167.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.6 p -135.25 -9.61 2.24 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 tp -116.06 -33.94 4.89 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 119.71 1.141 . . . . 0.0 113.334 169.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -107.59 15.31 24.87 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -68.48 -10.37 55.05 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 124.62 1.168 . . . . 0.0 113.021 166.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -139.99 162.87 34.16 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.417 2.287 . . . . 0.0 111.401 163.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.0 m120 48.09 47.97 18.7 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.475 1.51 . . . . 0.0 112.018 -176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 ttt85 -67.71 -10.83 55.88 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.203 1.801 . . . . 0.0 114.572 -163.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -54.71 -24.51 22.44 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.825 1.65 . . . . 0.0 112.938 169.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.02 -13.76 49.81 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 115.798 1.079 . . . . 0.0 115.798 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.6 mt -63.38 -24.13 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.065 1.433 . . . . 0.0 112.114 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -61.64 -18.14 58.27 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 177.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 74.2 p -112.81 0.09 15.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.432 1.493 . . . . 0.0 113.629 174.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.8 164.06 26.98 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.754 1.222 . . . . 0.0 113.029 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.2 m -69.75 143.51 53.01 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 121.327 -0.858 . . . . 0.0 112.138 177.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.34 -167.51 43.35 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 125.419 1.485 . . . . 0.0 115.482 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.1 t-105 -139.24 171.71 13.89 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 126.994 2.118 . . . . 0.0 111.021 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.41 135.09 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.376 1.07 . . . . 0.0 110.442 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.5 t -62.29 156.28 22.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.864 1.266 . . . . 0.0 112.146 175.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.54 -10.49 18.32 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.981 0.913 . . . . 0.0 113.402 168.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -63.32 -24.5 67.88 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 126.185 1.794 . . . . 0.0 113.653 168.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -137.98 -172.51 3.27 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.985 2.514 . . . . 0.0 111.969 -172.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.91 161.49 32.41 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.2 mt -97.4 140.02 32.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 126.195 1.798 . . . . 0.0 111.356 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -77.47 128.89 34.97 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.654 1.182 . . . . 0.0 110.545 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.5 m -147.62 167.96 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 124.882 1.273 . . . . 0.0 112.633 -170.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -159.43 135.15 8.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.991 1.316 . . . . 0.0 111.137 163.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -71.22 130.81 42.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.936 1.295 . . . . 0.0 112.176 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.0 mt -105.54 -4.84 20.74 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 126.033 1.733 . . . . 0.0 115.149 -176.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -137.93 20.29 2.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.12 12.99 61.39 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 118.418 -1.212 . . . . 0.0 116.067 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -85.97 1.69 49.15 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 119.151 1.475 . . . . 0.0 113.8 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.77 -1.94 87.94 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 126.187 1.851 . . . . 0.0 116.186 170.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 pt -140.96 161.15 23.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 124.856 1.262 . . . . 0.0 112.711 -170.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mm -92.84 107.73 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 125.377 1.471 . . . . 0.0 108.286 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -151.5 -2.01 0.32 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -105.88 16.41 25.21 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 121.329 1.877 . . . . 0.0 115.066 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.05 -37.8 1.75 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 126.32 1.914 . . . . 0.0 116.882 165.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.86 5.75 50.66 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.412 1.885 . . . . 0.0 114.151 172.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.11 -3.28 54.45 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.932 1.293 . . . . 0.0 114.313 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.2 pt? -125.84 149.85 48.31 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 128.173 2.589 . . . . 0.0 110.176 171.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 97.3 m-85 -84.96 110.94 19.25 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.244 1.018 . . . . 0.0 113.263 -161.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.24 -158.53 20.01 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.763 1.173 . . . . 0.0 113.074 -174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -63.53 -16.66 61.36 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -87.32 -2.16 58.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.992 -1.067 . . . . 0.0 112.867 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.3 m -85.41 137.3 33.02 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 125.297 1.439 . . . . 0.0 110.89 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.77 152.0 23.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.908 0.883 . . . . 0.0 113.32 171.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.2 mt -92.62 174.85 7.06 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.446 2.299 . . . . 0.0 111.036 171.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.37 67.26 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.819 1.785 . . . . 0.0 115.819 -174.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -89.14 -5.58 57.65 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.816 1.189 . . . . 0.0 113.967 175.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.98 -3.47 60.44 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 126.646 2.07 . . . . 0.0 115.969 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -65.72 152.63 43.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 119.097 1.449 . . . . 0.0 111.318 170.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -78.29 144.64 35.95 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 120.011 1.278 . . . . 0.0 112.212 173.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.71 150.24 46.13 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 111.28 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.57 -46.25 73.23 Favored 'General case' 0 C--O 1.221 -0.434 0 O-C-N 121.662 -0.649 . . . . 0.0 112.327 173.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.548 ' CG ' HE22 ' A' ' 149' ' ' GLN . 14.7 p80 -157.6 170.12 23.11 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.81 1.244 . . . . 0.0 112.304 -164.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.02 74.37 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 115.555 0.982 . . . . 0.0 115.555 -173.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -70.11 -44.79 68.25 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 118.011 0.906 . . . . 0.0 112.461 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.89 85.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.176 0.59 . . . . 0.0 111.915 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.39 98.74 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 124.238 1.015 . . . . 0.0 113.723 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -77.67 -35.5 52.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 120.911 -1.118 . . . . 0.0 113.132 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.49 -16.42 55.49 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -60.95 -22.15 64.14 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.202 1.401 . . . . 0.0 114.041 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.6 mt -94.91 -0.7 53.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -76.76 120.34 21.78 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.895 0.855 . . . . 0.0 111.652 176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 m -66.65 -37.69 85.33 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.756 1.223 . . . . 0.0 113.588 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -112.85 -16.54 12.71 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -170.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.78 45.44 17.05 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 119.461 1.028 . . . . 0.0 112.645 -171.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -111.17 9.6 21.87 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 126.058 1.743 . . . . 0.0 113.392 -171.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 68.65 15.29 9.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 127.101 2.16 . . . . 0.0 115.856 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.4 pt -135.59 151.72 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.2 mm -106.3 116.91 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 C-N-CA 124.74 1.216 . . . . 0.0 108.116 159.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -144.33 -172.81 3.86 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.974 1.31 . . . . 0.0 111.352 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.79 -13.11 3.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.8 -27.81 58.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 120.828 1.649 . . . . 0.0 113.753 169.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.66 136.08 36.72 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.28 1.032 . . . . 0.0 111.993 175.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.86 88.88 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.764 -1.21 . . . . 0.0 112.155 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.34 -25.63 65.96 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.334 1.054 . . . . 0.0 113.75 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.25 -28.97 56.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 120.042 1.292 . . . . 0.0 113.066 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -81.7 -27.38 33.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.1 p -103.43 -15.9 15.76 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.565 1.546 . . . . 0.0 114.625 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.21 146.82 52.57 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.089 1.356 . . . . 0.0 111.74 171.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -137.42 169.1 18.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.535 1.934 . . . . 0.0 110.932 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.0 t -122.99 132.56 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 125.048 1.339 . . . . 0.0 109.252 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -107.13 126.89 52.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.931 1.292 . . . . 0.0 111.64 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -115.1 103.83 11.27 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.406 1.483 . . . . 0.0 109.267 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -75.87 82.09 2.79 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.954 0.797 . . . . 0.0 111.263 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -24.01 63.09 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -161.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -112.13 -7.26 14.07 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.22 1.808 . . . . 0.0 113.834 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.273 21.4 mp0 47.41 60.37 3.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 126.463 1.905 . . . . 0.0 114.441 -168.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.5 p30 -92.95 -10.17 37.36 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.536 1.134 . . . . 0.0 113.143 171.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.44 ' HA3' ' HA3' ' A' ' 18' ' ' GLY . . . 71.76 17.84 76.99 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 124.907 1.241 . . . . 0.0 115.114 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.12 129.2 75.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 126.477 1.911 . . . . 0.0 108.308 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -85.02 135.33 34.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.139 0.976 . . . . 0.0 111.181 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -125.32 147.8 48.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.832 1.653 . . . . 0.0 108.936 169.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.46 -30.24 68.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -173.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -56.14 -30.1 61.67 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.879 1.672 . . . . 0.0 113.392 171.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -88.05 -3.29 58.91 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 124.999 1.32 . . . . 0.0 114.327 -173.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.3 mp -91.16 150.86 21.2 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 124.501 1.12 . . . . 0.0 110.954 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -136.43 150.3 48.69 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.822 2.049 . . . . 0.0 110.798 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.1 p -72.18 160.82 31.8 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.513 1.525 . . . . 0.0 111.702 167.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.75 -34.74 76.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.354 -0.842 . . . . 0.0 111.124 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.51 -41.98 88.02 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -175.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -75.54 -18.35 59.81 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.4 6.32 27.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.74 1.216 . . . . 0.0 112.505 167.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 63.71 23.58 67.29 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 123.989 0.804 . . . . 0.0 114.077 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -78.81 134.72 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 118.688 1.244 . . . . 0.0 109.191 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -106.17 -47.83 3.73 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.272 1.429 . . . . 0.0 111.734 175.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 96.0 p -155.26 154.26 31.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 120.993 -1.067 . . . . 0.0 112.341 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.76 134.49 53.29 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.989 1.315 . . . . 0.0 108.938 166.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -83.3 146.84 28.3 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 171.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.92 -2.71 31.21 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.308 1.043 . . . . 0.0 113.76 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -81.42 138.47 35.56 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.763 1.225 . . . . 0.0 111.909 169.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -150.11 163.71 37.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.221 1.008 . . . . 0.0 112.48 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -123.13 143.01 50.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.898 1.679 . . . . 0.0 110.73 169.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -71.21 121.61 18.69 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.965 164.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.25 -21.95 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 C-N-CA 125.365 1.466 . . . . 0.0 114.484 -175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.8 m120 49.08 36.76 9.3 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 126.184 1.793 . . . . 0.0 115.43 169.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -79.02 139.05 38.27 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.516 1.127 . . . . 0.0 112.099 -172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -85.44 128.61 34.79 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.985 0.514 . . . . 0.0 109.879 173.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.98 -27.74 13.73 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -176.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 117.03 156.68 10.59 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 125.253 1.406 . . . . 0.0 112.026 -166.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.8 m120 54.29 24.87 5.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.794 2.037 . . . . 0.0 113.438 -169.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.79 20.05 73.92 Favored Glycine 0 CA--C 1.528 0.871 0 O-C-N 120.912 -1.117 . . . . 0.0 115.277 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -91.16 124.95 35.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 117.941 0.87 . . . . 0.0 109.819 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -103.84 134.14 47.63 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.033 0.933 . . . . 0.0 110.699 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.07 94.07 9.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.767 1.227 . . . . 0.0 107.955 165.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.06 -48.56 67.91 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 123.226 0.61 . . . . 0.0 112.147 -174.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.548 HE22 ' CG ' ' A' ' 76' ' ' HIS . 29.5 mt-30 -133.76 138.88 46.0 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.747 1.619 . . . . 0.0 110.48 -173.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -131.64 145.68 51.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.89 1.276 . . . . 0.0 113.249 -169.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -158.81 -157.04 8.29 Favored Glycine 0 C--N 1.333 0.37 0 C-N-CA 126.854 2.169 . . . . 0.0 112.558 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 45.0 m -133.6 162.64 31.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.751 1.62 . . . . 0.0 114.135 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -137.33 157.75 45.94 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.455 1.902 . . . . 0.0 111.005 169.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 55.5 m -110.61 140.65 44.75 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.807 1.643 . . . . 0.0 111.567 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -102.57 159.74 15.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.383 1.873 . . . . 0.0 112.897 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 65.2 p -66.58 -19.36 65.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.502 1.521 . . . . 0.0 113.938 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -78.35 0.93 23.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.204 1.402 . . . . 0.0 114.444 169.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 86.04 -5.33 84.38 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.745 1.641 . . . . 0.0 115.237 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 31.1 p -77.55 165.72 23.96 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 119.534 1.667 . . . . 0.0 112.177 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 60.0 p -127.22 153.53 45.98 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.15 0.98 . . . . 0.0 111.403 173.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.92 164.7 31.17 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.026 0.931 . . . . 0.0 110.88 176.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -75.59 153.93 37.03 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 122.612 1.196 . . . . 0.0 113.242 -176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 22.1 ptm -147.71 166.57 27.07 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 124.945 1.298 . . . . 0.0 109.831 166.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 177.19 172.61 41.93 Favored Glycine 0 C--N 1.339 0.734 0 O-C-N 121.369 -0.832 . . . . 0.0 114.795 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -82.38 105.85 13.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.203 1.001 . . . . 0.0 109.922 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.4 tt -106.2 123.6 48.29 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.895 2.078 . . . . 0.0 109.584 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.87 134.13 35.1 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.98 0.912 . . . . 0.0 112.342 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 86.9 mt -114.16 152.67 30.82 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 126.725 2.01 . . . . 0.0 114.632 -163.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -56.37 147.59 21.01 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.173 1.389 . . . . 0.0 113.921 170.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -143.59 146.1 33.03 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.829 1.252 . . . . 0.0 111.918 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -76.69 159.26 30.35 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 123.983 0.913 . . . . 0.0 112.781 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -86.5 -39.06 16.64 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -169.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 46.3 mt -106.77 165.76 11.08 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.153 1.381 . . . . 0.0 112.358 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -63.2 121.59 14.05 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.606 1.162 . . . . 0.0 111.318 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 13.6 m -64.78 -17.65 64.38 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -122.92 36.53 4.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.6 1.56 . . . . 0.0 113.124 176.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -58.1 -30.47 66.29 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 120.825 -1.172 . . . . 0.0 114.141 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 71.3 mt -108.45 -32.29 7.48 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.353 1.461 . . . . 0.0 113.067 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.259 1.573 0 C-N-CA 124.963 1.305 . . . . 0.0 113.156 -176.86 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 8.7 Cg_exo . . . . . 0 CA--C 1.517 -0.352 0 N-CA-C 112.514 0.159 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.89 125.85 27.23 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 121.505 -0.747 . . . . 0.0 112.637 -174.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.19 144.26 49.07 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 127.634 2.374 . . . . 0.0 110.756 174.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mp -116.23 138.3 51.41 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.047 1.739 . . . . 0.0 110.967 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -79.22 114.02 17.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.801 1.24 . . . . 0.0 110.349 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.87 -27.33 22.27 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -168.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -110.91 -5.83 14.81 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.26 33.56 11.7 Favored Glycine 0 C--N 1.334 0.464 0 CA-C-O 118.37 -1.239 . . . . 0.0 115.246 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -123.54 16.9 9.65 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 120.29 2.045 . . . . 0.0 114.75 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.4 158.07 28.91 Favored Glycine 0 C--N 1.34 0.805 0 C-N-CA 125.896 1.713 . . . . 0.0 113.501 -172.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -80.76 122.24 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 C-N-CA 124.148 0.979 . . . . 0.0 108.584 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -100.61 149.56 23.62 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.964 1.306 . . . . 0.0 111.886 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 p -134.89 166.92 21.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.121 1.368 . . . . 0.0 112.221 -173.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 m -130.75 143.77 39.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 C-N-CA 125.762 1.625 . . . . 0.0 109.63 169.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.65 156.2 20.1 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.137 1.375 . . . . 0.0 113.987 -165.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.7 m -65.99 112.22 3.72 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 124.622 1.169 . . . . 0.0 111.221 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -150.26 151.7 33.38 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 126.288 1.835 . . . . 0.0 112.242 -169.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.12 -162.18 49.66 Favored Glycine 0 C--O 1.217 -0.92 0 C-N-CA 124.888 1.233 . . . . 0.0 116.044 168.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -131.58 132.01 43.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 126.483 1.913 . . . . 0.0 110.959 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -88.57 -29.1 20.28 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.557 1.143 . . . . 0.0 113.604 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.64 25.79 57.86 Favored Glycine 0 C--N 1.341 0.836 0 O-C-N 121.63 -0.668 . . . . 0.0 114.556 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -61.6 156.26 20.27 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.336 1.054 . . . . 0.0 112.613 176.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.6 -24.63 15.45 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.856 1.263 . . . . 0.0 113.22 -172.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -139.0 148.59 43.65 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 126.692 1.997 . . . . 0.0 110.492 176.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.2 p30 -80.01 -11.43 59.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 171.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -71.04 141.77 50.9 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 126.518 1.927 . . . . 0.0 111.46 161.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -95.65 147.39 23.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.455 1.102 . . . . 0.0 112.215 -175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.91 7.53 5.59 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 126.63 1.972 . . . . 0.0 115.572 -176.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.37 -35.79 0.12 Allowed 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.18 25.81 65.46 Favored Glycine 0 C--N 1.34 0.803 0 CA-C-O 117.801 -1.555 . . . . 0.0 114.901 -175.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.3 pt -130.27 -34.37 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -60.82 141.61 56.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 120.938 1.699 . . . . 0.0 112.323 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -132.85 143.43 49.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 119.67 1.123 . . . . 0.0 113.512 -172.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.93 67.75 8.05 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.507 1.123 . . . . 0.0 110.767 162.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 m 66.63 -21.18 0.1 Allowed 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 117.468 2.396 . . . . 0.0 117.468 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.01 99.99 0.67 Allowed Glycine 0 C--N 1.333 0.409 0 CA-C-N 121.537 1.971 . . . . 0.0 112.578 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -157.28 174.58 15.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.102 1.361 . . . . 0.0 113.29 -164.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.95 141.5 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 124.742 1.217 . . . . 0.0 109.913 165.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -60.97 153.8 24.16 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 121.072 -1.017 . . . . 0.0 112.073 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.79 -14.81 16.37 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 169.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.88 -31.67 72.75 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.799 1.24 . . . . 0.0 113.071 172.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -122.05 -170.65 2.1 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 127.012 2.125 . . . . 0.0 111.673 -174.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.66 161.51 32.3 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 115.836 1.094 . . . . 0.0 115.836 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -91.44 138.04 31.89 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.891 1.676 . . . . 0.0 111.304 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.57 129.08 37.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.859 0.864 . . . . 0.0 110.157 169.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -143.8 167.63 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 C-N-CA 124.572 1.149 . . . . 0.0 112.909 -174.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -145.76 130.91 18.4 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 126.622 1.969 . . . . 0.0 111.218 171.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -79.74 115.04 19.11 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.31 0.644 . . . . 0.0 111.596 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -89.94 -0.31 57.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 114.823 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -139.3 3.08 2.12 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.98 17.44 77.05 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -83.76 -3.78 58.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 118.956 1.378 . . . . 0.0 114.589 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.8 4.96 90.31 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-O 118.069 -1.406 . . . . 0.0 115.634 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.1 pt -132.44 164.23 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 125.833 1.653 . . . . 0.0 112.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.6 mm -97.8 119.71 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 124.65 1.18 . . . . 0.0 109.524 172.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -132.24 -1.67 3.59 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -172.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.23 150.27 35.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.622 1.169 . . . . 0.0 112.086 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.26 -18.45 49.43 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.787 1.184 . . . . 0.0 114.776 175.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -19.21 65.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 125.996 1.719 . . . . 0.0 114.727 170.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -93.85 -10.55 33.62 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.964 1.705 . . . . 0.0 113.177 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.95 165.12 22.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 126.11 1.764 . . . . 0.0 110.609 164.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 59.8 m-85 -100.12 105.23 16.83 Favored 'General case' 0 CA--C 1.515 -0.403 0 O-C-N 121.618 -0.676 . . . . 0.0 110.159 163.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -176.28 -162.61 27.38 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 125.377 1.465 . . . . 0.0 113.697 -169.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.8 p-10 -75.48 10.83 1.47 Allowed 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -124.38 2.89 8.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.562 1.545 . . . . 0.0 113.571 170.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 m -76.07 152.04 36.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 120.459 -1.401 . . . . 0.0 111.204 167.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -94.66 161.22 14.28 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.1 mt -106.36 179.21 4.33 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 128.876 2.87 . . . . 0.0 110.609 174.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.66 -29.39 69.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -89.26 7.89 33.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 119.278 0.944 . . . . 0.0 112.79 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.01 0.84 86.65 Favored Glycine 0 N--CA 1.443 -0.892 0 O-C-N 120.622 -1.299 . . . . 0.0 115.704 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.97 150.05 48.68 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 119.385 1.592 . . . . 0.0 110.309 167.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -78.71 142.88 36.73 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.489 -0.757 . . . . 0.0 110.401 171.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.52 149.97 47.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.76 0.824 . . . . 0.0 112.006 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -81.97 -26.94 33.51 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -154.06 167.38 30.01 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.258 1.423 . . . . 0.0 112.415 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.36 -29.52 74.31 Favored Glycine 0 CA--C 1.522 0.516 0 O-C-N 121.234 -0.916 . . . . 0.0 115.355 -168.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -74.61 -37.52 62.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 118.703 1.252 . . . . 0.0 112.012 175.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.08 82.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 118.81 0.732 . . . . 0.0 112.514 174.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.43 97.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.428 1.091 . . . . 0.0 112.899 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.6 tp -76.25 -37.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.88 -19.61 65.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -172.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.73 -23.38 66.73 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.307 1.443 . . . . 0.0 113.466 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.6 mt -85.29 -3.05 58.7 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -174.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -68.15 119.51 12.85 Favored 'General case' 0 CA--C 1.518 -0.276 0 O-C-N 121.068 -1.02 . . . . 0.0 110.203 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.0 p -81.09 -37.08 29.56 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.764 1.226 . . . . 0.0 114.1 -171.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -110.54 -21.11 12.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.05 1.74 . . . . 0.0 113.691 -171.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.39 67.42 1.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 O-C-N 121.331 -0.856 . . . . 0.0 112.464 -176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -122.53 -2.14 8.97 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.65 1.58 . . . . 0.0 113.437 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.16 25.03 10.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 126.869 2.068 . . . . 0.0 114.998 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.0 pt -132.47 147.14 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 124.785 1.234 . . . . 0.0 111.158 166.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.2 mm -98.16 110.51 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 170.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -142.48 169.66 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 126.623 1.969 . . . . 0.0 110.89 -169.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.71 -16.1 24.62 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -166.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.36 -21.65 49.13 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 119.81 1.186 . . . . 0.0 114.108 171.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.98 125.58 27.18 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 120.159 1.345 . . . . 0.0 111.334 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.07 73.48 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.28 -18.04 62.44 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -54.47 -34.7 62.05 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 119.188 0.904 . . . . 0.0 112.366 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -66.65 -20.42 65.98 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.702 1.201 . . . . 0.0 113.746 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 m -98.84 -6.21 29.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.118 1.367 . . . . 0.0 114.09 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.2 mt -73.38 136.63 44.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.804 -1.185 . . . . 0.0 111.427 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -139.24 171.9 13.61 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 126.049 1.739 . . . . 0.0 110.56 177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -118.89 131.8 70.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 124.034 0.934 . . . . 0.0 110.141 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -100.55 120.8 40.57 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 125.366 1.467 . . . . 0.0 110.451 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -112.97 98.35 7.12 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.628 1.171 . . . . 0.0 108.581 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -73.29 112.96 9.84 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 118.969 0.804 . . . . 0.0 109.742 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.4 mt -80.18 -7.08 58.78 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -170.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -114.36 -10.9 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 52.65 54.07 11.18 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.061 1.745 . . . . 0.0 112.766 -170.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -108.74 -15.56 14.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.686 1.194 . . . . 0.0 112.836 171.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 72.04 22.15 78.89 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 120.881 -1.137 . . . . 0.0 112.887 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.78 112.72 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 126.147 1.779 . . . . 0.0 106.394 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.4 t -85.16 146.36 27.15 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.058 -1.027 . . . . 0.0 113.23 -167.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -132.19 151.47 51.78 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.123 1.769 . . . . 0.0 109.171 169.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.54 -30.56 71.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.497 -1.377 . . . . 0.0 114.067 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -63.01 -19.71 64.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 172.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.34 -10.16 59.19 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 125.079 1.352 . . . . 0.0 113.046 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.7 mt -96.78 142.15 29.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.503 0.721 . . . . 0.0 111.592 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -137.03 150.63 48.21 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 126.771 2.028 . . . . 0.0 111.244 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.2 p -77.59 164.95 24.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 124.787 1.235 . . . . 0.0 112.167 174.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.48 -48.07 68.2 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.155 -0.966 . . . . 0.0 112.312 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.49 -33.63 74.5 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.69 0.796 . . . . 0.0 113.035 -173.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.73 -20.64 63.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 119.499 1.045 . . . . 0.0 113.279 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 90.8 mt -97.58 2.85 50.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 126.433 1.893 . . . . 0.0 113.493 171.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.91 17.6 80.18 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 124.825 1.202 . . . . 0.0 115.674 178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 33.6 mt -84.25 137.49 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 119.497 1.649 . . . . 0.0 109.777 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -127.01 -42.01 1.76 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.3 p -159.48 154.77 25.37 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 120.5 1.5 . . . . 0.0 112.084 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.1 mt -109.47 133.36 53.17 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.574 1.149 . . . . 0.0 111.427 -174.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -93.14 118.58 31.38 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.829 1.252 . . . . 0.0 111.589 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 69.5 mt -85.67 28.87 0.74 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -106.01 115.14 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.814 1.646 . . . . 0.0 109.753 167.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.98 147.59 34.12 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 124.864 1.266 . . . . 0.0 112.846 -168.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -111.89 135.22 52.81 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.679 1.992 . . . . 0.0 110.573 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.51 126.28 29.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.454 1.502 . . . . 0.0 110.739 168.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.42 -30.41 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 116.407 2.002 . . . . 0.0 116.407 -172.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 44.22 50.14 7.67 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.886 2.075 . . . . 0.0 115.684 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -89.12 143.94 26.49 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.265 1.826 . . . . 0.0 112.793 -176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.0 138.55 38.88 Favored 'General case' 0 C--O 1.217 -0.606 0 O-C-N 121.572 -0.705 . . . . 0.0 111.034 161.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 81.1 mt -119.07 -4.81 10.55 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.657 1.583 . . . . 0.0 114.24 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 158.55 178.37 32.51 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.45 1.5 . . . . 0.0 111.838 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -65.74 110.35 2.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 117.98 0.89 . . . . 0.0 110.427 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.75 7.78 88.06 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.42 124.16 49.97 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 120.08 1.94 . . . . 0.0 111.68 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -132.81 136.06 46.04 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.226 1.01 . . . . 0.0 110.64 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.25 105.95 15.9 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.488 1.515 . . . . 0.0 109.351 170.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.43 -47.59 26.62 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.904 0.882 . . . . 0.0 112.317 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -138.41 154.42 48.9 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.398 1.479 . . . . 0.0 111.175 -174.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -143.18 144.19 32.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -161.94 -151.73 6.43 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 126.945 2.212 . . . . 0.0 112.716 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 30.8 m -141.36 171.14 14.48 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.941 1.696 . . . . 0.0 112.611 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -135.36 160.35 38.7 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 126.273 1.829 . . . . 0.0 111.566 170.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 54.7 m -94.68 136.24 35.21 Favored 'General case' 0 CA--C 1.512 -0.509 0 C-N-CA 125.69 1.596 . . . . 0.0 111.202 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -95.96 156.18 16.44 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 126.407 1.883 . . . . 0.0 112.948 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 31.9 p -61.51 -22.76 65.41 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.164 1.386 . . . . 0.0 113.906 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -88.54 8.4 28.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 173.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 82.85 0.86 90.48 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 116.767 1.467 . . . . 0.0 116.767 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 34.4 p -90.64 -179.59 5.58 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 118.642 1.221 . . . . 0.0 112.301 172.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 77.1 p -122.79 159.54 27.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.519 1.128 . . . . 0.0 111.952 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.64 163.96 33.23 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.558 1.543 . . . . 0.0 110.692 170.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.57 154.96 36.44 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.3 ptm -150.81 168.68 23.7 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.06 1.344 . . . . 0.0 111.591 167.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -178.0 171.19 43.67 Favored Glycine 0 N--CA 1.446 -0.663 0 O-C-N 121.255 -0.903 . . . . 0.0 115.154 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -89.92 104.66 17.2 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 125.866 1.666 . . . . 0.0 109.638 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.8 tt -115.73 124.63 51.3 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 110.151 -169.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 31.1 mt -81.24 135.41 35.73 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.079 1.352 . . . . 0.0 112.008 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 48.9 mt -109.6 146.79 34.13 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.82 1.648 . . . . 0.0 111.316 -169.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -86.72 159.66 19.09 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -89.36 166.31 13.82 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 124.233 1.013 . . . . 0.0 113.327 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.65 159.62 27.94 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.881 1.673 . . . . 0.0 112.738 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -127.54 136.89 52.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -170.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 3.2 pp -124.0 -11.7 7.56 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 125.524 1.529 . . . . 0.0 114.896 166.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -81.86 98.39 8.49 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 118.983 0.81 . . . . 0.0 109.589 172.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 8.1 t -72.11 138.19 47.57 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.738 0.78 . . . . 0.0 113.023 -167.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 58.51 14.66 3.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 128.564 2.745 . . . . 0.0 115.291 -170.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -68.2 -33.99 75.43 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 119.426 1.012 . . . . 0.0 111.976 171.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 82.5 mt -88.74 23.45 2.3 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.973 1.309 . . . . 0.0 112.956 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--O 1.25 1.081 0 C-N-CA 127.091 2.156 . . . . 0.0 112.565 178.368 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.483 0.881 0 N-CA-C 112.699 0.23 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.23 121.34 13.46 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.179 0.991 . . . . 0.0 112.831 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.0 148.51 32.39 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.724 2.41 . . . . 0.0 111.659 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -119.42 134.75 55.07 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 126.154 1.782 . . . . 0.0 109.721 177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -79.16 106.1 10.96 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 125.652 1.581 . . . . 0.0 109.541 167.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.4 mt -88.1 -31.62 19.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 120.808 -1.183 . . . . 0.0 113.077 -166.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -98.02 -2.42 40.38 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.95 1.3 . . . . 0.0 114.349 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.16 43.69 7.4 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 115.874 1.11 . . . . 0.0 115.874 164.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.1 p30 -138.19 13.75 2.83 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.23 149.18 19.72 Favored Glycine 0 C--N 1.338 0.64 0 C-N-CA 126.763 2.125 . . . . 0.0 113.117 -176.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.71 123.75 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.023 0.929 . . . . 0.0 109.286 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -108.24 152.85 24.04 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 112.821 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.4 p -135.44 157.99 45.51 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.246 1.418 . . . . 0.0 112.422 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.15 147.17 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.384 0 C-N-CA 125.515 1.526 . . . . 0.0 111.866 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.14 136.49 56.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 123.49 0.716 . . . . 0.0 111.402 167.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.0 m -71.14 131.21 43.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 123.449 0.7 . . . . 0.0 110.458 176.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -139.43 -44.2 0.45 Allowed 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 126.639 1.976 . . . . 0.0 111.802 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.58 36.96 2.25 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 125.894 1.711 . . . . 0.0 114.751 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -57.56 137.46 56.31 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 118.703 1.251 . . . . 0.0 112.758 -170.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.8 p -129.27 -20.82 3.31 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.51 -139.67 33.94 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 118.675 0.671 . . . . 0.0 114.208 173.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 m -68.68 120.32 14.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.639 0.775 . . . . 0.0 111.882 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.7 mt -124.82 -9.41 7.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 125.363 1.465 . . . . 0.0 113.382 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -132.35 151.01 52.04 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.915 1.686 . . . . 0.0 110.854 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.21 -19.02 41.84 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -169.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -97.71 -1.92 42.42 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.874 1.269 . . . . 0.0 114.28 176.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -73.2 149.84 42.56 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 120.181 -1.574 . . . . 0.0 111.387 167.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -131.94 153.89 49.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 126.029 1.732 . . . . 0.0 111.328 171.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -90.29 151.55 21.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.226 1.011 . . . . 0.0 111.559 170.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.98 -173.06 18.62 Favored Glycine 0 C--N 1.342 0.895 0 C-N-CA 126.094 1.807 . . . . 0.0 113.88 -174.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.2 pt -77.41 -14.72 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -169.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.9 ptp85 -141.79 156.67 45.56 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 126.228 1.811 . . . . 0.0 112.042 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.7 p -142.58 155.81 45.03 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.024 1.33 . . . . 0.0 112.187 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.44 142.03 57.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.655 1.182 . . . . 0.0 113.78 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.1 p -123.15 -12.78 7.86 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.35 1.46 . . . . 0.0 113.19 174.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.06 126.61 1.62 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 124.61 1.1 . . . . 0.0 112.126 178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.0 t-105 -141.79 170.2 16.16 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.144 1.378 . . . . 0.0 112.837 -166.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -67.7 133.1 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.976 1.31 . . . . 0.0 111.235 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.0 t -59.65 156.33 13.88 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 125.745 1.618 . . . . 0.0 114.034 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.55 -16.14 64.03 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -173.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -80.46 -18.81 47.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.265 1.426 . . . . 0.0 113.272 172.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -116.86 -178.82 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 111.87 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.99 175.88 37.62 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 116.208 1.243 . . . . 0.0 116.208 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -114.0 140.16 48.65 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.879 2.072 . . . . 0.0 112.135 -177.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 tp -80.77 129.36 34.48 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 123.93 0.892 . . . . 0.0 111.281 175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -145.91 168.52 7.23 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 C-N-CA 124.932 1.293 . . . . 0.0 112.761 -172.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -154.07 127.11 8.34 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.579 1.551 . . . . 0.0 111.358 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -76.7 116.45 17.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.058 0.543 . . . . 0.0 110.359 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.6 mt -98.98 2.7 46.62 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.951 1.701 . . . . 0.0 113.83 -175.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.92 -5.28 3.14 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.92 9.23 86.54 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -73.84 -5.08 38.78 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 120.21 2.005 . . . . 0.0 114.886 176.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.05 -6.87 72.93 Favored Glycine 0 C--N 1.34 0.774 0 C-N-CA 126.305 1.907 . . . . 0.0 115.101 176.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.7 pt -132.2 167.16 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.807 1.643 . . . . 0.0 113.37 -173.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.2 mm -104.83 98.52 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.532 2.333 . . . . 0.0 109.092 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -133.88 -20.18 1.99 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -168.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -98.41 149.56 22.54 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 126.146 1.778 . . . . 0.0 111.74 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.02 -21.61 63.87 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 116.159 1.223 . . . . 0.0 116.159 -172.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.53 -9.28 59.73 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.751 1.22 . . . . 0.0 114.267 175.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -86.78 -4.25 59.15 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.795 1.238 . . . . 0.0 114.128 -170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.16 152.67 26.77 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 125.897 1.679 . . . . 0.0 109.385 164.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -88.35 106.98 18.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 121.689 -0.632 . . . . 0.0 111.415 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -174.09 -177.11 43.01 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.434 1.492 . . . . 0.0 111.726 -173.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -63.96 -10.85 23.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -169.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -79.47 -3.74 48.01 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.779 -1.826 . . . . 0.0 113.779 173.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.5 m -78.13 145.92 35.43 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.79 1.636 . . . . 0.0 111.811 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -99.43 140.88 32.95 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.153 1.381 . . . . 0.0 112.413 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.05 169.22 10.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.482 2.313 . . . . 0.0 111.567 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.09 -37.3 66.65 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -170.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -84.69 5.16 29.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 120.085 1.311 . . . . 0.0 114.099 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.89 -3.29 82.83 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 125.862 1.696 . . . . 0.0 115.17 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 m -68.35 152.02 46.04 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.07 1.435 . . . . 0.0 111.4 172.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -84.83 144.97 28.09 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 121.452 -0.78 . . . . 0.0 112.172 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.48 142.64 58.32 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.562 1.145 . . . . 0.0 111.121 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -81.92 -25.34 35.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.55 170.4 22.07 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 126.435 1.894 . . . . 0.0 111.905 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.51 -24.75 66.27 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 124.273 0.939 . . . . 0.0 115.243 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -69.4 -46.6 66.49 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 119.005 1.403 . . . . 0.0 112.25 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -34.09 76.28 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 123.225 0.61 . . . . 0.0 112.567 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.72 96.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.907 0.883 . . . . 0.0 113.14 174.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 tp -76.67 -35.89 57.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.776 1.231 . . . . 0.0 113.12 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.93 -22.56 65.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -174.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -61.38 -16.47 46.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.703 1.201 . . . . 0.0 113.694 172.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.0 mt -95.91 -0.3 51.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -72.32 119.08 16.01 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 119.963 1.256 . . . . 0.0 109.731 169.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.4 m -88.64 -27.21 21.44 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -170.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -112.4 -10.37 13.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.34 18.07 59.57 Favored Glycine 0 C--N 1.341 0.854 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 p30 -79.41 -0.6 33.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 119.185 1.493 . . . . 0.0 113.968 178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.268 27.8 t30 68.71 20.28 8.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.797 2.039 . . . . 0.0 115.723 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.87 150.63 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 C-N-CA 124.965 1.306 . . . . 0.0 111.971 168.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mm -97.1 113.44 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 124.748 1.219 . . . . 0.0 108.449 170.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -145.39 171.89 13.97 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 125.575 1.55 . . . . 0.0 111.43 -174.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.97 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.28 -20.03 59.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.796 1.18 . . . . 0.0 113.997 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -72.81 142.3 48.04 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 120.222 1.374 . . . . 0.0 112.867 176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.8 91.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -165.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.4 -17.62 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -53.9 -44.72 70.74 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -160.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -70.2 -19.42 63.17 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.7 m -89.79 -12.21 39.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.708 1.603 . . . . 0.0 113.342 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.01 152.57 45.55 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 124.237 1.015 . . . . 0.0 111.413 173.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.1 mmt-85 -140.63 165.66 26.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.817 1.647 . . . . 0.0 110.836 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.72 131.14 70.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.974 1.31 . . . . 0.0 108.811 169.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -100.87 123.55 45.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.644 1.578 . . . . 0.0 110.818 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -117.54 98.57 6.47 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.698 1.199 . . . . 0.0 108.284 169.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.25 118.73 15.5 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 122.047 -0.408 . . . . 0.0 110.484 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.51 -9.89 59.6 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -170.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -111.57 -3.73 15.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.392 1.477 . . . . 0.0 111.812 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 53.03 37.78 25.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.574 1.55 . . . . 0.0 112.732 -174.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -108.14 0.83 21.82 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.77 26.02 73.04 Favored Glycine 0 C--O 1.227 -0.319 0 O-C-N 120.929 -1.107 . . . . 0.0 114.975 169.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 55.8 mt -126.96 115.89 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 173.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.2 p -86.01 150.53 24.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -163.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -131.3 155.49 47.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.174 168.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -23.47 67.16 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -74.93 -10.26 59.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -95.17 -4.92 45.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.985 1.714 . . . . 0.0 113.695 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 31.3 mt -97.2 149.82 21.59 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.539 1.136 . . . . 0.0 112.344 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -138.45 152.88 48.72 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 127.854 2.461 . . . . 0.0 111.448 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.5 p -75.12 163.76 27.22 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 124.293 1.037 . . . . 0.0 111.979 169.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.73 -35.86 70.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 121.004 -1.06 . . . . 0.0 111.227 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.84 -38.14 82.8 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -73.44 -11.65 60.54 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.3 mt -101.02 4.52 42.46 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 126.851 2.06 . . . . 0.0 113.118 169.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 71.74 20.0 78.38 Favored Glycine 0 CA--C 1.523 0.538 0 C-N-CA 124.889 1.233 . . . . 0.0 115.045 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.6 mt -79.69 128.58 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 120.017 1.909 . . . . 0.0 109.799 -174.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -96.6 -50.76 4.59 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.067 1.347 . . . . 0.0 112.365 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.9 p -160.32 157.52 28.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.59 -0.694 . . . . 0.0 112.859 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.35 133.13 53.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.686 1.194 . . . . 0.0 109.246 172.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -86.65 126.91 34.85 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.014 1.326 . . . . 0.0 110.518 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.28 -2.89 54.05 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -86.86 129.52 34.84 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 119.884 1.22 . . . . 0.0 112.091 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -138.27 166.4 24.28 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 125.396 1.478 . . . . 0.0 113.183 -170.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -134.48 145.62 48.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.306 1.842 . . . . 0.0 111.491 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.53 137.18 37.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.263 0.625 . . . . 0.0 111.265 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 20.5 m -129.59 -38.61 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 C-N-CA 124.35 1.06 . . . . 0.0 113.182 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 46.01 48.39 12.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.507 1.523 . . . . 0.0 112.952 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -102.36 125.48 49.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.213 2.605 . . . . 0.0 112.266 -162.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -71.93 121.79 19.69 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.221 1.009 . . . . 0.0 111.348 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.37 -1.89 52.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.336 1.454 . . . . 0.0 113.7 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 75.75 174.21 35.93 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 124.688 1.137 . . . . 0.0 113.026 -167.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . 0.261 0.6 OUTLIER 50.1 18.05 0.36 Allowed 'General case' 0 C--O 1.241 0.616 0 C-N-CA 127.49 2.316 . . . . 0.0 116.222 -177.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.17 5.0 70.8 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 125.621 1.582 . . . . 0.0 116.33 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -97.32 153.82 17.82 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 120.499 2.149 . . . . 0.0 112.044 172.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 63.2 m -141.49 142.89 33.59 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.439 1.496 . . . . 0.0 110.211 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 16.2 tp -100.39 123.29 44.42 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.156 1.382 . . . . 0.0 109.825 172.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -88.35 -56.64 3.23 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.603 0.638 . . . . 0.0 112.482 -176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -128.11 142.94 51.05 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 126.54 1.936 . . . . 0.0 108.805 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -130.32 150.93 51.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.02 1.328 . . . . 0.0 112.461 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -156.83 -152.82 6.42 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 128.048 2.737 . . . . 0.0 110.569 170.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.5 p -136.35 161.49 35.66 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -121.84 155.59 35.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.796 1.638 . . . . 0.0 110.41 169.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 99.1 m -104.6 139.91 38.78 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.561 1.544 . . . . 0.0 111.191 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -98.97 158.55 15.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 127.243 2.217 . . . . 0.0 111.876 176.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 32.3 p -69.19 -15.61 63.43 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.6 p30 -80.22 0.07 34.07 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 166.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 93.82 -11.09 71.6 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 126.286 1.898 . . . . 0.0 115.489 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 39.8 p -79.43 171.26 15.41 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 119.253 1.527 . . . . 0.0 112.913 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 33.0 p -130.35 155.44 46.36 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 124.521 1.128 . . . . 0.0 113.428 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.65 165.46 27.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.31 1.844 . . . . 0.0 111.051 169.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -72.91 153.01 41.18 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 120.849 -1.157 . . . . 0.0 114.114 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 21.9 ptm -145.88 161.11 40.76 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.527 1.531 . . . . 0.0 109.979 166.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -177.05 168.32 40.11 Favored Glycine 0 C--N 1.339 0.735 0 O-C-N 121.561 -0.712 . . . . 0.0 114.477 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -83.01 111.07 18.52 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 123.868 0.867 . . . . 0.0 109.65 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.1 tt -112.1 126.82 55.59 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.148 1.779 . . . . 0.0 110.842 -170.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 47.7 mt -83.21 119.36 24.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.523 1.129 . . . . 0.0 111.107 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.8 mt -86.46 135.87 33.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 126.379 1.872 . . . . 0.0 111.14 -173.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -97.63 136.01 38.62 Favored 'General case' 0 CA--C 1.514 -0.407 0 O-C-N 121.451 -0.781 . . . . 0.0 112.282 -175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -154.54 134.89 13.3 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.216 1.407 . . . . 0.0 112.615 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -102.01 141.65 34.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.702 1.601 . . . . 0.0 111.243 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -69.74 143.65 52.98 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.377 -0.827 . . . . 0.0 111.007 169.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 70.9 mt -80.81 5.49 15.8 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 125.043 1.337 . . . . 0.0 114.39 -175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -80.25 150.1 30.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.618 1.167 . . . . 0.0 112.961 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 19.1 t -84.75 148.48 26.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.117 0.967 . . . . 0.0 113.116 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.81 152.27 48.95 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.953 2.101 . . . . 0.0 110.584 177.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -118.55 125.44 49.85 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 126.398 1.879 . . . . 0.0 109.849 170.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 89.3 mt -138.86 157.26 46.37 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.353 1.461 . . . . 0.0 112.063 -172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--O 1.245 0.861 0 C-N-CA 127.586 2.354 . . . . 0.0 111.894 -173.805 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 1.5 Cg_exo . . . . . 0 N--CA 1.473 0.273 0 N-CA-C 113.216 0.429 . . . . 0.0 113.216 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.77 120.7 15.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -174.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.85 145.29 43.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 127.504 2.322 . . . . 0.0 112.233 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mp -119.91 136.88 54.34 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 126.107 1.763 . . . . 0.0 111.576 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -85.03 112.98 21.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.633 1.173 . . . . 0.0 110.291 174.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.7 mt -90.12 -35.4 15.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -111.52 17.53 19.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 126.535 1.934 . . . . 0.0 114.794 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.46 -4.24 69.34 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 163.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -99.66 18.74 17.32 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 126.794 2.038 . . . . 0.0 113.713 -175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.35 164.1 39.93 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 125.757 1.646 . . . . 0.0 113.369 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.98 120.0 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 O-C-N 121.627 -0.925 . . . . 0.0 109.575 -176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -102.12 150.35 23.35 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.982 1.713 . . . . 0.0 112.317 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.6 p -132.32 160.87 34.99 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.594 1.558 . . . . 0.0 113.404 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.74 156.92 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 126.016 1.726 . . . . 0.0 111.665 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.62 159.91 29.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.991 0.917 . . . . 0.0 112.265 166.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 p -99.12 144.04 28.71 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -175.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -95.78 -169.28 1.92 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.406 2.283 . . . . 0.0 109.827 170.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.39 50.15 5.52 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 124.835 1.207 . . . . 0.0 112.361 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -64.03 -34.21 77.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.054 1.342 . . . . 0.0 113.78 -177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -136.11 13.96 3.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.705 1.602 . . . . 0.0 113.792 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.75 -117.54 0.77 Allowed Glycine 0 CA--C 1.522 0.492 0 C-N-CA 125.906 1.717 . . . . 0.0 110.879 -168.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -126.69 -15.26 5.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.0 mt -93.65 158.33 15.74 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.424 1.09 . . . . 0.0 112.535 -172.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -117.76 131.05 56.64 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.886 1.674 . . . . 0.0 112.498 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -160.54 105.39 1.44 Allowed 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 125.523 1.529 . . . . 0.0 109.718 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -64.61 -7.81 11.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.193 -1.567 . . . . 0.0 114.826 -174.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -87.9 -13.12 42.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 125.406 1.482 . . . . 0.0 114.235 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -152.75 -47.61 0.1 Allowed 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -167.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.9 63.44 1.53 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 128.122 2.569 . . . . 0.0 110.697 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.46 -143.34 2.75 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.361 0.981 . . . . 0.0 114.902 -171.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -86.6 138.47 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 124.654 1.182 . . . . 0.0 109.735 177.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -79.57 126.05 30.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 121.35 -0.844 . . . . 0.0 109.638 172.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.0 p -86.69 -3.51 59.05 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 116.96 2.208 . . . . 0.0 116.96 -147.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.68 -43.75 1.85 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.012 1.325 . . . . 0.0 113.765 173.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -61.67 128.92 38.58 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 124.377 1.071 . . . . 0.0 112.522 -172.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.82 160.11 22.73 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 125.343 1.449 . . . . 0.0 113.864 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -149.87 172.57 14.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.373 1.069 . . . . 0.0 112.42 -172.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -73.8 134.32 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 124.592 1.157 . . . . 0.0 110.522 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 t -63.21 156.18 26.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 124.863 1.265 . . . . 0.0 112.23 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -11.29 19.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.9 -35.06 75.68 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 166.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -127.11 -176.79 3.82 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 128.891 2.876 . . . . 0.0 111.205 -167.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.86 169.17 34.04 Favored Glycine 0 C--N 1.339 0.717 0 O-C-N 121.005 -1.059 . . . . 0.0 115.111 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -102.66 141.32 35.67 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.702 1.601 . . . . 0.0 111.511 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.7 129.28 35.33 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.012 0.925 . . . . 0.0 111.504 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.1 m -146.37 163.97 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 C-N-CA 124.968 1.307 . . . . 0.0 112.778 -170.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -154.89 120.81 5.17 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.848 1.659 . . . . 0.0 110.005 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.64 117.66 20.01 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.12 -21.6 64.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.496 -0.753 . . . . 0.0 112.065 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -94.2 -8.51 39.1 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.92 14.18 72.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -84.42 -20.07 32.45 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 119.683 1.742 . . . . 0.0 112.874 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.13 23.25 35.4 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.804 1.193 . . . . 0.0 113.99 -169.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.46 118.78 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.908 1.283 . . . . 0.0 110.669 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.6 mm -98.52 111.32 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 127.472 2.309 . . . . 0.0 108.216 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -144.09 -9.91 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -114.04 153.21 29.8 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.66 1.184 . . . . 0.0 111.394 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.35 -17.96 62.49 Favored Glycine 0 C--N 1.342 0.886 0 N-CA-C 115.686 1.034 . . . . 0.0 115.686 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.41 -11.57 60.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.164 -1.198 . . . . 0.0 113.916 168.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -105.38 -7.2 18.94 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.405 1.482 . . . . 0.0 113.78 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 tp -131.41 111.15 11.57 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 127.159 2.183 . . . . 0.0 108.788 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 95.7 m-85 -66.1 112.75 4.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 123.306 0.642 . . . . 0.0 112.509 -167.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.32 -167.79 36.73 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 126.144 1.83 . . . . 0.0 112.485 -175.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -72.2 9.71 0.93 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -109.48 -2.32 17.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 120.106 -1.621 . . . . 0.0 113.475 169.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.8 m -79.19 150.4 31.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.305 1.442 . . . . 0.0 111.527 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -101.11 138.5 38.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.495 1.118 . . . . 0.0 113.882 177.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.0 mt -80.76 170.82 15.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 126.819 2.048 . . . . 0.0 111.128 171.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.98 65.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -170.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.0 p-10 -95.39 2.87 54.74 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 120.111 1.323 . . . . 0.0 113.36 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.55 79.57 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 125.268 1.413 . . . . 0.0 115.423 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.5 m -66.07 142.85 57.65 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 118.93 1.365 . . . . 0.0 110.938 173.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -73.09 142.98 47.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.551 -0.718 . . . . 0.0 111.451 170.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.53 149.3 47.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.917 0.865 . . . . 0.0 111.741 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.66 -35.15 65.21 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.806 0.842 . . . . 0.0 112.676 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -161.96 167.23 24.91 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.174 1.79 . . . . 0.0 112.312 -172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.37 -37.96 94.94 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 125.054 1.311 . . . . 0.0 115.711 -173.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -67.36 -41.23 85.43 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 119.983 1.891 . . . . 0.0 111.818 175.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.91 82.28 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.97 74.9 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.939 1.295 . . . . 0.0 113.374 174.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -31.42 25.7 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.443 1.097 . . . . 0.0 113.21 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.68 -21.21 62.59 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -174.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.61 -20.8 65.12 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.681 -1.262 . . . . 0.0 113.049 172.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 mp -82.76 -6.54 59.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.697 1.199 . . . . 0.0 112.806 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -80.66 104.61 11.3 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 120.086 1.312 . . . . 0.0 109.978 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.3 m -86.31 -17.65 34.02 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.559 1.689 . . . . 0.0 115.559 -168.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -109.86 -12.86 14.54 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 124.169 0.988 . . . . 0.0 113.209 173.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.32 57.33 4.74 Favored Glycine 0 C--N 1.336 0.539 0 CA-C-N 119.35 0.977 . . . . 0.0 112.465 175.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 p30 -112.96 -1.98 14.39 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.596 1.558 . . . . 0.0 113.094 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.271 15.1 t-20 67.22 31.95 6.34 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 125.947 1.699 . . . . 0.0 114.806 -175.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.6 pt -139.14 152.59 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 125.942 1.697 . . . . 0.0 112.131 163.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.7 mm -101.41 116.19 44.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.45 1.1 . . . . 0.0 108.089 167.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -147.82 168.28 22.58 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.418 1.487 . . . . 0.0 112.365 -172.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.74 -25.64 41.59 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -169.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.65 63.72 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.06 135.61 51.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 119.827 1.194 . . . . 0.0 112.037 172.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.56 -32.24 72.31 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.21 -16.1 60.5 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -58.84 -36.11 74.02 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -73.49 -18.97 61.05 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 121.378 -0.826 . . . . 0.0 113.175 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.6 m -91.57 -15.91 27.94 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.773 1.629 . . . . 0.0 115.107 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.66 146.21 55.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.897 0.879 . . . . 0.0 112.456 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -141.66 168.09 20.59 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.553 1.941 . . . . 0.0 111.139 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.0 t -121.24 131.64 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 124.996 1.319 . . . . 0.0 109.388 170.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -99.97 129.25 46.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.358 1.063 . . . . 0.0 111.211 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -120.82 100.89 7.36 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 126.196 1.798 . . . . 0.0 109.07 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -72.21 92.22 1.35 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.162 -172.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 -22.47 66.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -167.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -115.65 10.1 15.43 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 171.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 58.37 29.07 17.66 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 117.943 2.572 . . . . 0.0 117.943 170.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -101.56 -8.05 22.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 119.84 -1.787 . . . . 0.0 115.788 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.57 6.75 88.22 Favored Glycine 0 C--N 1.343 0.922 0 C-N-CA 124.467 1.032 . . . . 0.0 115.049 -177.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -96.4 131.08 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 125.009 1.323 . . . . 0.0 107.84 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.4 t -86.59 145.43 26.75 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 119.312 0.96 . . . . 0.0 113.434 -176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -143.42 149.98 38.41 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 126.363 1.865 . . . . 0.0 110.598 171.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.51 72.66 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -62.06 -19.8 63.31 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.662 1.585 . . . . 0.0 114.074 173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -97.33 -5.39 36.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.537 1.535 . . . . 0.0 113.072 179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.8 mt -90.19 155.97 18.65 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 124.413 1.085 . . . . 0.0 111.615 173.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -139.8 151.02 45.42 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 126.364 1.866 . . . . 0.0 111.103 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.7 p -72.71 164.95 25.72 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.808 1.243 . . . . 0.0 112.449 167.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.19 -42.68 79.57 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.347 -0.845 . . . . 0.0 111.53 173.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -62.99 -42.26 99.8 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.351 0.66 . . . . 0.0 112.454 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.92 -14.25 61.43 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.3 mt -97.25 1.25 49.42 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.921 1.689 . . . . 0.0 113.665 169.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.48 25.81 62.5 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.285 1.421 . . . . 0.0 114.704 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 59.9 mt -98.25 140.89 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 125.645 1.578 . . . . 0.0 110.517 -174.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -119.82 -43.34 2.57 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.965 1.706 . . . . 0.0 113.849 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 84.1 p -155.41 159.4 39.83 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.453 -1.404 . . . . 0.0 113.096 177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 17.5 mt -114.12 134.59 54.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.76 1.224 . . . . 0.0 109.822 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -81.87 132.16 35.27 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 118.285 0.493 . . . . 0.0 110.758 172.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -92.27 -0.65 57.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.276 -0.89 . . . . 0.0 113.305 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -84.52 141.33 30.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.532 1.133 . . . . 0.0 111.625 166.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -144.94 171.37 14.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.018 1.327 . . . . 0.0 111.916 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -128.58 142.24 51.11 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.363 1.065 . . . . 0.0 109.599 163.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -76.76 127.69 33.22 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 123.825 0.85 . . . . 0.0 111.07 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.2 -20.62 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 125.739 1.616 . . . . 0.0 114.859 -169.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 47.7 41.79 14.36 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.459 1.904 . . . . 0.0 114.952 172.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -76.29 115.16 15.76 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.815 1.246 . . . . 0.0 111.982 -173.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -64.08 122.73 17.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.807 0.843 . . . . 0.0 110.103 171.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.23 14.25 22.84 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.641 1.577 . . . . 0.0 112.528 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 80.3 165.74 32.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 125.394 1.473 . . . . 0.0 114.394 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 56.73 16.1 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 101.6 0.48 52.97 Favored Glycine 0 C--N 1.34 0.766 0 C-N-CA 125.561 1.553 . . . . 0.0 115.066 -176.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.46 135.88 35.38 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.914 1.357 . . . . 0.0 111.819 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.5 m -138.33 126.04 22.26 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 124.927 1.291 . . . . 0.0 111.62 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.27 104.53 12.65 Favored 'General case' 0 N--CA 1.444 -0.769 0 O-C-N 120.872 -1.143 . . . . 0.0 109.342 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.62 20.56 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.673 0.789 . . . . 0.0 112.424 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -128.71 136.5 50.68 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.374 1.87 . . . . 0.0 110.25 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -127.62 141.7 51.55 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 125.274 1.43 . . . . 0.0 112.267 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -153.78 -155.0 7.0 Favored Glycine 0 C--N 1.338 0.671 0 C-N-CA 126.916 2.198 . . . . 0.0 111.573 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 99.5 p -130.11 163.05 27.43 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -121.36 160.52 23.86 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.657 1.583 . . . . 0.0 110.039 161.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.9 m -110.74 138.92 46.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.659 1.183 . . . . 0.0 110.127 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -88.31 167.84 13.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 126.312 1.845 . . . . 0.0 112.976 -176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 11.2 p -57.38 -24.84 57.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.278 1.431 . . . . 0.0 113.576 171.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -95.6 13.84 24.91 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 113.655 173.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 76.25 -9.82 18.46 Favored Glycine 0 C--N 1.338 0.642 0 O-C-N 120.666 -1.271 . . . . 0.0 116.132 174.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 33.8 p -70.39 159.89 33.34 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.128 1.371 . . . . 0.0 112.274 170.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 59.9 p -115.41 153.1 31.67 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -145.54 163.12 35.72 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 126.737 2.015 . . . . 0.0 111.675 -174.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.75 145.05 34.65 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 27.4 ptm -149.8 166.64 28.84 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 164.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -179.56 173.16 45.03 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 115.14 0.816 . . . . 0.0 115.14 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -86.81 104.41 16.15 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.575 1.15 . . . . 0.0 110.376 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 45.4 tp -93.42 116.61 29.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.427 1.491 . . . . 0.0 110.649 -176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 68.1 mt -74.97 124.54 27.13 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 57.4 mt -97.62 141.21 30.94 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 124.547 1.139 . . . . 0.0 111.433 -169.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.85 137.29 57.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -125.17 154.88 40.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -161.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -56.82 138.01 54.03 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.578 1.151 . . . . 0.0 113.14 -174.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 59.25 -18.08 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 129.803 3.241 . . . . 0.0 117.433 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 61.8 tp -86.98 -40.63 14.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.037 1.735 . . . . 0.0 113.363 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -110.11 38.17 2.49 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.515 1.126 . . . . 0.0 112.513 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 11.5 m -66.16 122.53 17.65 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.533 -1.355 . . . . 0.0 111.419 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 88.9 mmt-85 -140.92 -19.89 0.81 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.669 1.588 . . . . 0.0 114.928 -175.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -80.76 113.27 18.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 119.826 1.194 . . . . 0.0 110.685 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 47.8 tp -158.52 102.58 1.73 Allowed 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.746 1.618 . . . . 0.0 110.168 -171.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--O 1.247 0.958 0 C-N-CA 124.492 1.117 . . . . 0.0 113.94 -168.113 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.482 0 N-CA-C 113.428 0.511 . . . . 0.0 113.428 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.86 130.1 43.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.49 144.96 50.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 127.646 2.378 . . . . 0.0 111.273 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.4 mp -117.45 134.28 55.02 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 125.339 1.456 . . . . 0.0 110.453 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -81.46 112.25 18.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.355 0.662 . . . . 0.0 109.305 165.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 mt -90.82 -42.13 10.82 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 -90.36 9.29 29.52 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.49 38.07 29.46 Favored Glycine 0 CA--C 1.523 0.59 0 O-C-N 120.809 -1.182 . . . . 0.0 115.577 161.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -137.92 13.17 2.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.48 1.112 . . . . 0.0 113.549 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.81 159.02 30.55 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 126.456 1.979 . . . . 0.0 114.081 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -72.86 130.66 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 O-C-N 121.473 -1.016 . . . . 0.0 108.932 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -118.72 141.5 48.56 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.084 0.954 . . . . 0.0 112.777 -175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -136.65 138.22 40.88 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.244 1.017 . . . . 0.0 113.309 -178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -145.94 170.34 5.57 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 126.33 1.852 . . . . 0.0 110.633 -169.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.78 133.11 44.36 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.793 -0.567 . . . . 0.0 111.223 163.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 p -122.36 159.13 28.13 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 127.079 2.152 . . . . 0.0 111.285 172.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -81.57 42.05 0.67 Allowed 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 126.024 1.73 . . . . 0.0 113.319 -169.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.79 176.34 53.85 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 125.168 1.366 . . . . 0.0 114.3 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -80.16 138.59 36.91 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 124.972 1.309 . . . . 0.0 110.727 163.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -157.73 144.78 18.17 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.503 1.121 . . . . 0.0 109.85 169.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.24 -22.77 70.02 Favored Glycine 0 C--N 1.339 0.704 0 O-C-N 121.118 -0.989 . . . . 0.0 113.93 172.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -70.75 -3.83 20.73 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 125.859 1.664 . . . . 0.0 115.356 -174.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt -141.38 144.54 34.57 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.861 2.065 . . . . 0.0 111.122 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -131.9 -13.28 3.23 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 125.642 1.577 . . . . 0.0 115.142 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -138.83 38.52 2.18 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.99 1.716 . . . . 0.0 112.324 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -61.65 157.56 17.34 Favored 'General case' 0 CA--C 1.515 -0.389 0 O-C-N 120.336 -1.477 . . . . 0.0 112.311 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -70.84 -25.03 62.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.091 1.357 . . . . 0.0 114.301 -171.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -73.25 162.11 29.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -165.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.12 141.6 43.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.686 1.194 . . . . 0.0 113.235 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.2 -132.57 11.17 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 125.985 1.755 . . . . 0.0 113.247 -175.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.9 pt -74.15 145.75 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 117.892 0.846 . . . . 0.0 109.837 163.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -88.79 56.86 3.91 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.756 -1.215 . . . . 0.0 112.495 -169.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -142.55 157.81 44.33 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.222 1.009 . . . . 0.0 111.355 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -147.62 167.99 23.16 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 124.396 1.079 . . . . 0.0 111.523 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.4 p -131.22 138.71 49.48 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 126.431 1.892 . . . . 0.0 112.112 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.04 122.23 6.49 Favored Glycine 0 C--N 1.338 0.656 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 168.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -152.46 172.98 15.7 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.049 0.94 . . . . 0.0 111.202 -172.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.76 146.47 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 123.028 1.394 . . . . 0.0 113.077 175.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -56.92 154.37 9.58 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 126.612 1.965 . . . . 0.0 111.976 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.12 -18.24 65.22 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.27 -19.0 54.57 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 172.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -110.32 -176.73 3.06 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.309 1.844 . . . . 0.0 112.174 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.56 166.11 37.11 Favored Glycine 0 CA--C 1.519 0.301 0 O-C-N 121.135 -0.978 . . . . 0.0 114.474 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.1 mt -97.93 140.8 31.75 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.644 1.177 . . . . 0.0 111.27 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.34 129.15 36.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.99 0.516 . . . . 0.0 109.661 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.3 m -145.12 165.2 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.347 1.459 . . . . 0.0 111.883 -173.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -146.45 130.89 17.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.007 0.923 . . . . 0.0 109.958 159.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -69.69 115.65 9.17 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.627 1.171 . . . . 0.0 110.323 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -83.9 -14.54 50.82 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -170.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.3 p-10 -130.37 5.99 4.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.4 23.57 73.5 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-O 118.921 -0.933 . . . . 0.0 115.342 172.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -85.88 -1.02 56.87 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.227 1.411 . . . . 0.0 114.522 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.9 11.56 83.7 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 125.033 1.302 . . . . 0.0 115.306 175.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.42 155.0 28.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.285 1.834 . . . . 0.0 112.097 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.3 mm -93.99 112.39 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 125.751 1.62 . . . . 0.0 107.735 167.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -133.72 -2.43 2.99 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -170.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -139.02 146.84 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.448 1.499 . . . . 0.0 112.868 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.49 -26.84 64.99 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.62 1.105 . . . . 0.0 115.614 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.39 -2.72 56.45 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 119.304 1.552 . . . . 0.0 114.631 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -78.76 -20.11 50.7 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 119.971 1.26 . . . . 0.0 112.413 173.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mp -80.54 163.14 23.93 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.335 2.254 . . . . 0.0 110.052 167.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 1' ' ' PRO . 63.8 m-85 -99.78 106.77 18.69 Favored 'General case' 0 N--CA 1.442 -0.866 0 O-C-N 121.356 -0.84 . . . . 0.0 110.514 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.31 -159.3 22.19 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 124.572 1.082 . . . . 0.0 112.946 -171.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -75.84 6.8 4.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -94.71 -8.17 38.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.372 1.469 . . . . 0.0 112.98 166.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.8 m -77.51 136.93 38.37 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 119.758 1.163 . . . . 0.0 111.342 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -104.35 133.81 48.62 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.45 1.5 . . . . 0.0 110.529 173.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 64.2 mt -94.54 170.1 9.71 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.467 1.907 . . . . 0.0 112.216 -171.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.87 -22.95 65.09 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 120.523 -1.361 . . . . 0.0 114.5 -178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p30 -78.9 2.02 21.58 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.26 -3.76 85.3 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 126.316 1.913 . . . . 0.0 115.051 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -84.75 157.6 20.98 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 120.373 2.086 . . . . 0.0 113.404 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -83.42 139.5 32.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 120.869 -1.145 . . . . 0.0 111.779 171.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.09 58.18 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.827 1.251 . . . . 0.0 112.907 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -72.06 -32.43 67.07 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 121.135 -0.978 . . . . 0.0 113.513 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.88 170.47 22.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 126.192 1.797 . . . . 0.0 111.853 178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.34 -24.72 65.91 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.999 1.285 . . . . 0.0 115.011 -178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -70.65 -44.09 67.84 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 118.383 1.092 . . . . 0.0 111.84 173.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.41 -31.56 72.73 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 118.97 0.804 . . . . 0.0 112.478 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.65 -51.54 64.73 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.377 0.671 . . . . 0.0 112.234 170.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.2 tp -72.08 -32.76 67.34 Favored 'General case' 0 CA--C 1.518 -0.284 0 O-C-N 121.045 -1.035 . . . . 0.0 113.256 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.85 -15.1 61.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -61.81 -20.8 64.02 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.007 -1.058 . . . . 0.0 112.953 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.6 mt -96.62 1.26 51.0 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -164.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -73.75 124.02 25.23 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.728 1.149 . . . . 0.0 111.867 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.9 p -89.61 -13.7 36.6 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.514 1.525 . . . . 0.0 114.716 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -110.54 -22.42 11.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -168.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.73 30.16 66.53 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 119.033 0.833 . . . . 0.0 113.311 -166.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -97.75 -5.24 35.42 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 124.772 1.229 . . . . 0.0 113.018 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 43.6 t30 62.11 28.56 17.21 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.981 1.712 . . . . 0.0 114.451 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.1 pt -135.02 153.56 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 125.415 1.486 . . . . 0.0 111.284 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 48.6 mm -99.72 116.2 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 170.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -146.73 177.11 9.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.73 1.612 . . . . 0.0 111.328 -173.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.72 -16.6 41.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -173.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.51 -20.5 65.45 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 170.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -91.3 139.89 30.3 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.046 1.739 . . . . 0.0 112.939 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.82 81.44 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -26.69 67.86 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -57.08 -30.84 64.65 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.603 1.161 . . . . 0.0 113.289 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -80.69 -20.72 42.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -111.1 -12.83 14.13 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 125.625 1.57 . . . . 0.0 114.732 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.7 mt -65.3 141.53 58.56 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.873 1.269 . . . . 0.0 112.355 169.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -136.74 165.47 25.84 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 126.027 1.731 . . . . 0.0 111.324 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.8 t -119.48 126.21 75.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 124.379 1.072 . . . . 0.0 108.139 167.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -91.13 118.55 30.53 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.734 0.697 . . . . 0.0 110.195 172.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -100.41 117.45 34.62 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.259 1.023 . . . . 0.0 109.965 165.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -83.2 74.43 10.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.918 -1.114 . . . . 0.0 109.822 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.1 mt -58.24 -31.09 67.06 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 126.121 1.768 . . . . 0.0 114.587 -166.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -111.03 14.15 21.96 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.095 1.358 . . . . 0.0 114.425 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 57.25 60.49 2.91 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.172 1.789 . . . . 0.0 114.284 159.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -141.49 7.24 1.92 Allowed 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 116.144 1.905 . . . . 0.0 116.144 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.66 -0.91 47.92 Favored Glycine 0 N--CA 1.44 -1.077 0 O-C-N 120.12 -1.613 . . . . 0.0 115.878 173.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 78.6 mt -98.18 128.64 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 170.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 62.2 p -87.25 156.91 19.45 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.03 -1.043 . . . . 0.0 112.383 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -137.69 156.27 48.2 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 124.8 1.24 . . . . 0.0 110.918 174.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.48 -25.15 66.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -76.44 -22.62 54.4 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.486 1.514 . . . . 0.0 113.885 168.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -85.5 -17.21 37.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.495 1.518 . . . . 0.0 113.619 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.1 mt -79.35 126.1 30.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.763 1.225 . . . . 0.0 110.482 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 -111.16 143.74 41.41 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.119 2.168 . . . . 0.0 110.968 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.2 p -77.15 161.22 28.39 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.821 1.648 . . . . 0.0 111.213 168.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.42 -33.21 71.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.43 -0.794 . . . . 0.0 111.317 173.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.77 -41.7 82.89 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.401 1.08 . . . . 0.0 113.095 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.33 -25.62 62.48 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 119.22 0.918 . . . . 0.0 113.129 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.71 4.08 23.19 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 125.505 1.522 . . . . 0.0 112.823 169.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.37 26.2 74.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.576 1.56 . . . . 0.0 113.987 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.8 mt -82.78 137.93 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 119.034 1.417 . . . . 0.0 110.536 -175.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -99.48 -45.38 5.84 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.415 1.886 . . . . 0.0 111.365 170.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 93.8 p -156.58 159.76 38.82 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 28.7 mt -112.65 136.56 52.06 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 126.386 1.874 . . . . 0.0 108.832 167.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -85.29 137.1 33.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.687 0.795 . . . . 0.0 111.202 176.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -90.57 -11.49 39.89 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.214 1.005 . . . . 0.0 113.51 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.93 142.01 35.51 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 123.74 0.816 . . . . 0.0 111.509 173.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -145.96 172.92 12.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.651 1.18 . . . . 0.0 111.669 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -133.84 143.09 48.12 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 126.124 1.77 . . . . 0.0 109.871 166.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -66.98 133.55 50.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.591 1.157 . . . . 0.0 109.884 171.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.1 p -136.6 -37.28 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -167.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.2 m120 50.08 56.91 7.18 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 127.183 2.193 . . . . 0.0 114.518 171.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -107.21 131.95 53.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.951 1.701 . . . . 0.0 112.577 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -75.86 125.01 28.27 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 123.696 0.798 . . . . 0.0 110.178 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 19.2 mt -100.54 -27.1 13.59 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 131.92 154.13 7.63 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.998 1.285 . . . . 0.0 112.67 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 53.88 30.16 11.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.271 1.828 . . . . 0.0 114.55 -175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.29 12.84 81.66 Favored Glycine 0 C--N 1.334 0.436 0 O-C-N 120.835 -1.165 . . . . 0.0 115.003 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -100.56 142.28 32.25 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 118.989 1.395 . . . . 0.0 110.951 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.3 m -135.9 123.99 22.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.584 0.753 . . . . 0.0 111.893 -169.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.61 110.43 14.93 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.857 -1.152 . . . . 0.0 109.301 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -87.98 -43.99 11.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -128.15 145.29 51.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.555 1.542 . . . . 0.0 110.233 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -138.15 144.88 40.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.392 1.077 . . . . 0.0 113.432 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -157.7 -160.03 9.93 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 127.672 2.558 . . . . 0.0 113.07 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 73.5 m -127.07 168.1 15.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -138.84 159.55 41.86 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.415 1.486 . . . . 0.0 111.239 166.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 m -122.66 143.48 49.75 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.256 1.423 . . . . 0.0 111.513 -170.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -98.91 162.18 13.23 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.405 1.882 . . . . 0.0 113.091 -175.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 38.5 p -60.27 -36.08 76.98 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 120.954 -1.091 . . . . 0.0 112.358 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -76.69 2.73 13.38 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 84.56 0.86 89.32 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 116.6 1.4 . . . . 0.0 116.6 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 79.0 p -72.94 161.1 31.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 119.827 1.813 . . . . 0.0 112.395 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 18.7 p -121.55 150.47 41.61 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.724 1.609 . . . . 0.0 112.856 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -144.83 172.18 13.38 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 127.16 2.184 . . . . 0.0 111.531 -170.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.0 140.57 48.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.87 1.268 . . . . 0.0 113.983 -165.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 24.6 ptm -149.96 169.12 21.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.664 1.185 . . . . 0.0 112.139 177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.99 177.23 48.27 Favored Glycine 0 CA--C 1.52 0.402 0 O-C-N 121.429 -0.795 . . . . 0.0 114.184 175.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -91.28 119.96 31.77 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 124.012 0.925 . . . . 0.0 110.628 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 56.1 tp -110.81 119.48 39.26 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 126.233 1.813 . . . . 0.0 110.62 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.47 105.45 6.5 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.434 1.494 . . . . 0.0 109.644 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.51 137.17 42.32 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.347 1.459 . . . . 0.0 110.834 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.88 146.67 54.15 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.194 0.998 . . . . 0.0 111.73 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.58 156.24 27.79 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 121.261 -0.899 . . . . 0.0 113.37 -176.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -101.64 141.55 34.33 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 118.692 -2.505 . . . . 0.0 112.305 -14.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.28 -166.24 2.27 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 126.001 1.721 . . . . 0.0 110.284 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.32 -30.03 64.45 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 119.854 -1.779 . . . . 0.0 114.073 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -70.8 -41.98 70.9 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 120.185 1.357 . . . . 0.0 112.214 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 3.3 m -58.84 -50.1 75.23 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.835 1.254 . . . . 0.0 110.26 170.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -76.55 4.99 8.11 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.6 -32.07 65.67 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 119.386 0.994 . . . . 0.0 112.352 170.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 74.2 mt -97.1 136.52 37.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.81 1.244 . . . . 0.0 111.89 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 . . . . . 0 C--O 1.247 0.956 0 C-N-CA 127.358 2.263 . . . . 0.0 111.397 -176.485 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.253 0 N-CA-C 112.637 0.207 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.57 125.87 26.07 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -174.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.25 148.22 51.16 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 127.423 2.289 . . . . 0.0 111.463 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 mp -116.77 137.31 52.29 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.504 1.522 . . . . 0.0 110.489 -177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -79.01 105.24 10.21 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.029 1.331 . . . . 0.0 109.722 165.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -31.99 19.93 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -101.89 -5.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.4 5.46 63.46 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 118.459 2.144 . . . . 0.0 118.459 167.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -96.9 21.69 9.3 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 119.442 1.621 . . . . 0.0 113.958 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.99 158.89 33.2 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 126.076 1.798 . . . . 0.0 113.469 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.41 123.31 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.75 160.8 37.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -174.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.5 p -127.92 160.98 30.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.775 1.63 . . . . 0.0 113.611 -166.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -145.59 150.31 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 C-N-CA 126.107 1.763 . . . . 0.0 110.271 175.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.33 171.27 13.54 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.939 1.296 . . . . 0.0 113.073 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -127.6 128.97 46.46 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.966 0.906 . . . . 0.0 110.442 -176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -65.94 136.59 56.3 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 124.799 1.24 . . . . 0.0 112.12 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.24 -162.36 31.93 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 115.275 0.87 . . . . 0.0 115.275 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -119.68 5.3 11.02 Favored 'General case' 0 CA--C 1.512 -0.501 0 C-N-CA 127.089 2.156 . . . . 0.0 113.622 175.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -72.97 167.16 21.64 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.309 1.844 . . . . 0.0 113.266 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.88 -172.35 48.37 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 124.608 1.099 . . . . 0.0 115.811 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.3 m -136.83 -29.43 0.93 Allowed 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.601 1.56 . . . . 0.0 114.986 177.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.3 mt -105.58 148.49 27.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.022 1.729 . . . . 0.0 112.315 -172.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -158.38 155.56 28.91 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 126.03 1.732 . . . . 0.0 110.942 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -70.73 -51.16 29.14 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 125.15 1.38 . . . . 0.0 111.996 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.84 178.94 9.55 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 126.926 2.09 . . . . 0.0 111.501 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -126.11 33.64 5.0 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.01 1.324 . . . . 0.0 111.736 165.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -72.93 -28.01 62.19 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 125.455 1.502 . . . . 0.0 112.251 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -77.29 -42.81 35.48 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.669 1.188 . . . . 0.0 111.434 169.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.75 161.41 23.84 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 125.462 1.506 . . . . 0.0 112.216 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -75.56 122.53 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 O-C-N 121.536 -0.979 . . . . 0.0 111.618 -175.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -70.31 148.0 49.0 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 127.187 2.195 . . . . 0.0 113.364 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -68.61 129.26 39.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.844 1.258 . . . . 0.0 111.304 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.26 139.95 42.87 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -170.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.8 p -117.81 -18.48 9.56 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.738 2.015 . . . . 0.0 112.916 172.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.26 121.91 1.54 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 126.007 1.765 . . . . 0.0 110.914 167.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -138.41 171.75 13.91 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.493 1.517 . . . . 0.0 111.92 -161.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.52 138.68 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 O-C-N 121.374 -0.829 . . . . 0.0 111.236 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.0 t -61.37 157.68 16.18 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.202 1.401 . . . . 0.0 113.328 -176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.17 -12.0 60.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.02 -24.25 30.6 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 120.059 -1.651 . . . . 0.0 112.941 171.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.31 -179.19 3.85 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 127.738 2.415 . . . . 0.0 112.47 -176.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.47 169.11 36.89 Favored Glycine 0 C--N 1.339 0.713 0 O-C-N 120.132 -1.605 . . . . 0.0 115.892 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 mt -98.09 144.2 27.83 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 125.432 1.493 . . . . 0.0 112.101 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.8 tp -78.8 128.51 33.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.303 0.641 . . . . 0.0 109.963 169.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.5 m -143.61 163.28 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 C-N-CA 124.319 1.048 . . . . 0.0 113.827 -171.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -154.05 114.57 3.97 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.658 1.183 . . . . 0.0 111.805 164.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -69.27 120.88 15.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.745 1.218 . . . . 0.0 110.619 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.0 mt -78.1 -6.7 55.49 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 120.88 -1.138 . . . . 0.0 113.568 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -88.15 -17.47 30.86 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.865 1.266 . . . . 0.0 112.608 167.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.18 27.03 73.88 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.959 -1.088 . . . . 0.0 115.183 -177.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -108.17 -17.17 14.09 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.216 1.406 . . . . 0.0 113.29 176.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.14 23.66 29.04 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 125.478 1.513 . . . . 0.0 115.43 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.6 114.55 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 118.552 1.176 . . . . 0.0 108.639 172.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -90.07 104.65 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 125.79 1.636 . . . . 0.0 108.509 175.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -140.99 -5.23 1.14 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -174.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -119.93 142.92 48.29 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.388 1.475 . . . . 0.0 111.789 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.06 -21.39 56.07 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 115.749 1.059 . . . . 0.0 115.749 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.05 -0.97 15.45 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 115.435 1.642 . . . . 0.0 115.435 173.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -105.33 -11.39 16.5 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 126.777 2.031 . . . . 0.0 113.141 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.5 mt -88.38 163.68 15.89 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 126.839 2.056 . . . . 0.0 110.002 158.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -101.5 112.49 25.06 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 123.773 0.829 . . . . 0.0 111.918 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.29 -160.9 25.84 Favored Glycine 0 C--N 1.339 0.719 0 C-N-CA 126.227 1.87 . . . . 0.0 112.796 -169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.16 -19.54 62.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.29 7.82 23.85 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.519 1.128 . . . . 0.0 112.681 175.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -99.06 145.44 27.11 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 120.383 -1.448 . . . . 0.0 110.974 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -83.5 155.37 23.39 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-O 121.734 0.778 . . . . 0.0 113.049 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 79.9 mt -90.74 172.5 8.6 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.638 1.975 . . . . 0.0 109.816 162.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.31 -14.72 63.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -170.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -89.51 -1.7 58.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 120.662 -1.273 . . . . 0.0 113.983 173.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.08 3.32 85.26 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 125.35 1.452 . . . . 0.0 115.425 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.0 p -78.08 157.3 29.58 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 119.117 1.458 . . . . 0.0 111.142 168.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -84.9 143.56 28.94 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 120.288 -1.508 . . . . 0.0 112.419 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.02 155.64 38.35 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -62.7 -42.29 99.57 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.339 1.055 . . . . 0.0 111.87 168.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -159.24 163.96 35.42 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.802 1.641 . . . . 0.0 112.154 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.63 -37.27 93.93 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 125.127 1.346 . . . . 0.0 115.483 -174.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -63.79 -30.68 71.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 119.123 1.461 . . . . 0.0 112.748 173.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.58 -37.64 62.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 119.254 0.934 . . . . 0.0 112.237 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.42 -34.97 79.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.16 -35.48 61.6 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 124.916 1.286 . . . . 0.0 112.34 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.02 -19.02 64.88 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.54 -20.58 64.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.787 1.235 . . . . 0.0 113.934 171.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.7 mt -94.2 -4.69 48.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.757 1.223 . . . . 0.0 114.216 -171.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -72.46 125.53 27.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 118.961 0.801 . . . . 0.0 110.777 170.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.1 p -90.73 -33.65 15.68 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -171.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -112.65 -3.4 14.3 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.004 1.721 . . . . 0.0 115.095 -171.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.97 21.08 77.01 Favored Glycine 0 N--CA 1.44 -1.046 0 N-CA-C 115.771 1.068 . . . . 0.0 115.771 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -77.24 -5.44 49.36 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 119.201 1.501 . . . . 0.0 113.077 172.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . 0.261 8.2 t30 63.74 25.23 14.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.897 2.479 . . . . 0.0 114.038 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.8 pt -128.07 151.72 35.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 125.322 1.449 . . . . 0.0 111.054 169.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.4 mm -97.86 114.83 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -147.65 172.77 13.53 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.718 1.207 . . . . 0.0 111.813 -172.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.44 -17.49 31.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -167.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.19 -18.24 50.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.45 135.09 37.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.274 1.03 . . . . 0.0 110.956 168.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -35.17 75.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 120.716 -1.24 . . . . 0.0 113.858 -173.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.25 -21.46 66.74 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -61.91 -27.24 68.68 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 119.708 1.14 . . . . 0.0 113.312 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -82.37 -16.03 50.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.8 p -113.21 -16.78 12.49 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 115.837 1.792 . . . . 0.0 115.837 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.61 148.05 49.91 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 125.055 1.342 . . . . 0.0 110.905 166.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -138.29 170.73 15.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.508 1.923 . . . . 0.0 110.405 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.9 t -120.64 123.95 71.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.529 0 C-N-CA 124.748 1.219 . . . . 0.0 109.635 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -93.49 114.14 26.44 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.703 1.201 . . . . 0.0 110.976 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -109.16 97.07 6.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.441 1.097 . . . . 0.0 108.84 167.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -72.79 122.12 21.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.539 0.736 . . . . 0.0 110.371 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.2 mt -83.39 -5.49 59.16 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.144 0.978 . . . . 0.0 113.355 -173.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -111.65 -11.63 13.99 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 126.251 1.821 . . . . 0.0 112.248 170.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 51.08 35.63 13.49 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.864 2.066 . . . . 0.0 113.738 -166.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -101.25 -11.31 19.59 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 71.67 16.61 76.1 Favored Glycine 0 N--CA 1.446 -0.635 0 O-C-N 121.065 -1.022 . . . . 0.0 114.47 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.6 113.94 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 166.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -85.79 139.79 31.01 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.899 -1.125 . . . . 0.0 112.977 -165.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -129.83 144.15 51.16 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.835 1.254 . . . . 0.0 109.293 168.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.22 -27.66 68.6 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -172.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -61.55 -27.4 68.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.97 0.908 . . . . 0.0 112.924 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.3 -10.0 59.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 125.341 1.456 . . . . 0.0 113.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.6 mp -98.4 130.08 45.04 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.071 0.948 . . . . 0.0 109.895 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.426 HH21 ' CD ' ' A' ' 124' ' ' GLU . 7.1 mmm180 -115.79 154.21 30.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.806 2.042 . . . . 0.0 111.36 176.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 77.1 p -80.63 152.86 28.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.279 1.032 . . . . 0.0 112.833 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.49 -35.89 80.77 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.571 0.749 . . . . 0.0 111.556 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.94 -33.01 65.65 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.426 ' CD ' HH21 ' A' ' 120' ' ' ARG . 36.3 tt0 -66.01 -34.88 79.1 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 119.053 0.842 . . . . 0.0 112.21 172.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 94.1 mt -84.34 7.84 18.11 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.808 1.243 . . . . 0.0 113.717 173.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.46 27.59 73.7 Favored Glycine 0 C--N 1.338 0.653 0 O-C-N 121.127 -0.983 . . . . 0.0 114.74 172.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.6 mt -83.23 132.24 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 119.106 1.453 . . . . 0.0 110.285 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -94.59 -51.73 4.61 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 125.514 1.526 . . . . 0.0 111.016 172.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.4 p -157.18 160.31 38.61 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 124.477 1.111 . . . . 0.0 112.767 -178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 mt -112.33 136.18 52.1 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.882 1.673 . . . . 0.0 110.252 171.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -90.36 125.79 35.66 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.158 0.983 . . . . 0.0 111.571 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -77.66 -15.28 59.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 119.24 0.927 . . . . 0.0 113.219 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -72.02 140.12 48.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 119.822 1.192 . . . . 0.0 111.562 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -145.17 166.96 23.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.972 0.909 . . . . 0.0 112.68 -177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -129.16 148.34 51.09 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.802 2.041 . . . . 0.0 110.195 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -78.35 126.46 30.8 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 125.272 1.429 . . . . 0.0 110.95 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.65 -27.19 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 44.69 41.01 4.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 126.497 1.919 . . . . 0.0 115.739 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -76.57 116.53 17.34 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 123.76 0.824 . . . . 0.0 110.238 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -83.29 107.5 15.86 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.695 0.798 . . . . 0.0 109.359 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 67.3 mt -91.28 5.5 48.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -168.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 77.71 171.85 37.56 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 124.598 1.095 . . . . 0.0 113.156 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.6 m120 50.02 29.57 3.55 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.247 1.819 . . . . 0.0 114.799 -177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.58 6.62 89.22 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 125.46 1.505 . . . . 0.0 116.278 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -95.31 145.68 24.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 119.473 1.636 . . . . 0.0 112.84 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.1 m -144.89 137.93 26.6 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.126 1.37 . . . . 0.0 109.958 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.0 tp -96.77 107.32 19.77 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 0.0 109.691 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.52 -49.75 8.94 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -127.39 141.92 51.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 126.787 2.035 . . . . 0.0 109.563 -175.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -138.89 142.98 38.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.316 1.046 . . . . 0.0 112.383 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -148.73 -147.89 4.62 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 127.14 2.305 . . . . 0.0 110.708 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 85.3 p -129.25 166.03 20.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -130.42 159.77 36.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 125.995 1.718 . . . . 0.0 109.418 157.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 98.6 m -111.86 134.46 53.4 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 124.598 1.159 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -92.9 159.05 15.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 126.11 1.764 . . . . 0.0 111.789 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 24.0 p -66.73 -17.99 65.14 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.22 1.408 . . . . 0.0 114.766 -176.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -83.11 3.15 31.87 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.15 1.78 . . . . 0.0 114.607 170.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 85.5 2.81 87.02 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.394 1.473 . . . . 0.0 115.806 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 5.3 m -82.79 148.74 27.62 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 119.572 1.686 . . . . 0.0 110.844 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 35.8 p -105.95 146.59 29.83 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.561 0.744 . . . . 0.0 111.455 171.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -140.79 155.65 46.34 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 111.366 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -71.69 144.68 49.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.754 0.788 . . . . 0.0 112.395 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' MET . . . . . . . . . . . . . 25.1 ptm -141.15 161.42 37.91 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.606 0.762 . . . . 0.0 109.915 159.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -176.74 173.24 46.15 Favored Glycine 0 C--N 1.336 0.573 0 O-C-N 121.987 -0.446 . . . . 0.0 114.068 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -86.52 102.97 14.6 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.943 0.897 . . . . 0.0 110.752 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 65.2 tp -102.48 108.34 19.61 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.642 1.977 . . . . 0.0 109.131 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.08 136.31 44.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.037 1.335 . . . . 0.0 110.206 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 51.1 mt -112.65 130.18 56.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 126.657 1.983 . . . . 0.0 110.77 -163.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -89.86 131.26 35.88 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.068 0.947 . . . . 0.0 110.786 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -150.46 154.8 38.33 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -175.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -85.29 132.79 34.2 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.461 1.504 . . . . 0.0 113.609 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -86.04 12.39 9.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 -171.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 67.3 mt -88.39 172.44 9.38 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 120.644 -1.285 . . . . 0.0 110.977 167.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -48.75 137.59 12.1 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.081 1.353 . . . . 0.0 111.622 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 50.9 m -76.6 148.36 37.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.578 0.751 . . . . 0.0 112.864 -171.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -80.68 57.35 2.92 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 125.547 1.539 . . . . 0.0 112.531 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -64.76 155.21 34.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.542 1.137 . . . . 0.0 113.115 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.23 145.53 25.84 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.282 1.033 . . . . 0.0 111.577 -175.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--O 1.25 1.127 0 C-N-CA 126.865 2.066 . . . . 0.0 112.266 -172.298 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_