data_2jrk_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jrk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -29.94 66.34 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.795 1.634 . . . . 0.0 113.406 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -49.97 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.709 1.14 . . . . 0.0 112.696 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.93 -43.48 87.97 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.927 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -57.67 -39.09 76.31 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.0 1.273 . . . . 0.0 111.539 170.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.18 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 119.114 0.87 . . . . 0.0 112.722 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.9 pt -66.43 -41.18 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.001 1.273 . . . . 0.0 111.377 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.89 -53.99 50.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.222 0.919 . . . . 0.0 111.135 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -62.65 -50.94 69.22 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 117.77 -1.11 . . . . 0.0 110.443 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.16 83.8 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.93 1.241 . . . . 0.0 113.25 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.07 -41.25 70.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.027 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -63.05 -40.72 98.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 120.361 -1.462 . . . . 0.0 112.279 172.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -26.03 57.2 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.732 176.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.99 -44.54 94.45 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.586 1.994 . . . . 0.0 111.593 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.72 -32.13 71.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.061 0.944 . . . . 0.0 112.483 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -38.37 47.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.709 0.803 . . . . 0.0 111.957 173.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.54 -26.96 68.94 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.206 1.802 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -55.96 -24.06 36.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.016 0.926 . . . . 0.0 113.484 166.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -79.59 -29.97 41.4 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.845 -1.16 . . . . 0.0 112.342 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.37 -29.38 70.45 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.861 -1.149 . . . . 0.0 111.66 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.72 -40.55 75.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.033 166.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.82 -39.19 69.97 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.917 0.887 . . . . 0.0 111.431 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -48.18 75.38 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.502 -0.749 . . . . 0.0 110.967 172.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -33.25 68.13 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.757 1.223 . . . . 0.0 112.291 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.68 66.87 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.855 1.661 . . . . 0.0 112.458 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.31 -18.36 64.49 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.099 0.959 . . . . 0.0 113.39 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -93.85 -48.16 6.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.095 1.758 . . . . 0.0 111.494 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 12.14 6.07 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.23 79.32 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 128.15 2.58 . . . . 0.0 114.531 -171.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -133.65 -51.36 0.85 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.495 1.518 . . . . 0.0 113.391 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -150.25 -71.98 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.294 1.037 . . . . 0.0 111.512 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -69.09 19.23 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.13 -32.86 56.36 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.537 1.935 . . . . 0.0 114.362 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -111.03 4.2 19.29 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.65 1.18 . . . . 0.0 112.222 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -104.12 -51.25 3.17 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.606 1.562 . . . . 0.0 111.111 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tp -69.2 -30.38 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.006 0.922 . . . . 0.0 113.102 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 tt -53.07 -42.06 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.066 0.946 . . . . 0.0 111.796 164.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -80.78 -31.99 35.6 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 125.469 1.508 . . . . 0.0 112.884 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.98 -43.68 70.98 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.801 1.182 . . . . 0.0 111.949 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.07 -31.56 61.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.799 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.26 -39.59 79.62 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.125 0.875 . . . . 0.0 112.394 160.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.24 -47.45 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.64 1.109 . . . . 0.0 111.689 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -74.3 -34.32 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.931 0.787 . . . . 0.0 112.021 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.93 -55.07 38.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.62 1.168 . . . . 0.0 112.108 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.6 71.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.018 0.927 . . . . 0.0 112.784 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.8 ttt -69.49 -43.13 73.76 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.312 -0.867 . . . . 0.0 112.325 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -32.23 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.733 0.813 . . . . 0.0 112.29 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.75 -39.42 73.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.656 1.583 . . . . 0.0 111.138 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.33 -27.84 68.34 Favored Glycine 0 CA--C 1.536 1.378 0 O-C-N 121.094 -1.004 . . . . 0.0 114.536 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.85 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.789 1.294 . . . . 0.0 112.574 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -66.08 -34.71 78.69 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.491 -0.755 . . . . 0.0 111.522 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.12 -36.46 61.57 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.357 0.98 . . . . 0.0 113.638 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.36 -36.96 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 117.813 0.807 . . . . 0.0 112.234 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.45 72.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.056 0.942 . . . . 0.0 111.632 173.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.93 -33.07 72.59 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.528 -1.358 . . . . 0.0 113.113 174.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.49 -36.08 63.26 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.664 -0.647 . . . . 0.0 112.052 171.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -61.04 -34.6 75.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.366 0.53 . . . . 0.0 111.833 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.9 55.02 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -78.56 -27.69 45.86 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.604 1.162 . . . . 0.0 112.698 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -79.66 -32.48 41.54 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.104 1.361 . . . . 0.0 112.11 167.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -123.58 69.53 1.04 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.067 1.747 . . . . 0.0 110.565 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.05 169.55 2.63 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.339 -0.85 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.74 61.02 0.96 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.502 1.521 . . . . 0.0 111.748 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -128.02 -64.49 0.96 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.908 2.083 . . . . 0.0 109.982 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.47 -32.72 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 121.456 -0.777 . . . . 0.0 111.702 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.7 -27.24 67.73 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.34 0.656 . . . . 0.0 111.773 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.27 -27.66 66.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.636 0.774 . . . . 0.0 112.886 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -105.46 -39.55 6.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.365 1.066 . . . . 0.0 111.489 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -21.67 38.44 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.154 0.981 . . . . 0.0 112.247 172.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -33.83 0.84 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.213 1.405 . . . . 0.0 114.432 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -52.64 -23.92 7.47 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.12 -33.12 1.98 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.222 1.409 . . . . 0.0 111.646 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.8 -43.27 59.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.2 1.0 . . . . 0.0 111.864 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.31 70.62 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.035 -1.041 . . . . 0.0 111.405 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.79 -43.3 65.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.248 171.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -42.44 82.71 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.708 1.14 . . . . 0.0 111.307 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.78 -34.5 75.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.113 171.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -41.28 78.09 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.869 1.668 . . . . 0.0 111.697 168.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -63.08 -34.05 76.76 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 115.63 -2.128 . . . . 0.0 112.144 168.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.27 -47.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 123.016 2.644 . . . . 0.0 112.034 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -41.5 97.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.518 1.963 . . . . 0.0 112.172 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.2 tp -70.1 -39.49 75.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -59.15 -44.02 92.06 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 127.128 2.171 . . . . 0.0 111.631 170.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -60.33 -39.46 87.15 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.156 1.343 . . . . 0.0 112.068 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -56.6 6.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.208 1.003 . . . . 0.0 111.692 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -6.95 39.26 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 119.462 -2.024 . . . . 0.0 114.144 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.52 -74.22 0.26 Allowed 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.4 m -82.14 -36.71 27.17 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -165.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -43.88 76.04 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.994 -1.691 . . . . 0.0 111.498 171.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.56 -38.81 65.1 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.966 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -41.64 71.75 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 116.414 -1.755 . . . . 0.0 110.244 166.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -50.78 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 121.298 1.863 . . . . 0.0 112.444 172.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -73.29 -13.14 61.07 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.02 -8.18 22.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.423 1.889 . . . . 0.0 113.498 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.8 mt -57.02 137.0 19.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 124.646 1.178 . . . . 0.0 110.187 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -104.14 159.13 15.94 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 122.53 1.157 . . . . 0.0 111.645 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.8 p -103.3 146.71 28.05 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 125.665 1.586 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.048 -173.649 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -55.5 -25.75 38.83 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.154 -0.966 . . . . 0.0 112.408 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.55 -54.37 43.95 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.961 1.255 . . . . 0.0 112.88 168.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -66.24 -46.19 78.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.231 0.612 . . . . 0.0 110.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -32.84 71.79 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.79 -51.39 62.5 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.246 0.93 . . . . 0.0 111.631 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.3 pt -72.06 -35.04 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.958 1.254 . . . . 0.0 111.987 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.02 -61.72 2.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.571 1.078 . . . . 0.0 110.632 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -70.33 -31.68 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 117.353 -1.308 . . . . 0.0 112.613 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.11 -45.19 57.55 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 120.06 1.3 . . . . 0.0 113.567 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.87 -38.11 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.885 1.342 . . . . 0.0 111.311 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -66.4 -40.61 89.72 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.122 -0.986 . . . . 0.0 111.014 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.733 -1.603 . . . . 0.0 113.093 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.16 -41.14 87.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 122.158 2.254 . . . . 0.0 111.406 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -45.89 90.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.901 0.88 . . . . 0.0 111.322 171.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.14 -33.95 76.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.874 0.87 . . . . 0.0 113.045 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -19.68 65.45 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.713 1.605 . . . . 0.0 112.565 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -55.39 -23.03 22.44 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.605 0.762 . . . . 0.0 113.028 165.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -77.19 -27.07 53.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.312 1.045 . . . . 0.0 112.932 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -27.28 66.48 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.755 -1.215 . . . . 0.0 110.616 175.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -56.63 -48.7 76.94 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.849 0.75 . . . . 0.0 110.379 168.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -66.31 -43.56 85.9 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.492 0.717 . . . . 0.0 112.497 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.13 -38.11 82.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.478 -0.764 . . . . 0.0 111.961 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -31.93 36.34 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.797 1.239 . . . . 0.0 110.97 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -31.18 52.93 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.709 1.595 . . . . 0.0 112.351 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -65.34 -25.7 67.71 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -42.28 12.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.81 1.244 . . . . 0.0 112.771 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.63 21.75 7.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.903 1.281 . . . . 0.0 113.74 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 p -55.98 83.81 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.246 2.218 . . . . 0.0 114.818 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -136.91 -83.09 0.36 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.098 1.759 . . . . 0.0 111.399 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -145.19 -52.78 0.28 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.299 1.44 . . . . 0.0 112.096 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.09 -11.17 1.01 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -57.54 -23.0 47.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.288 1.435 . . . . 0.0 114.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.15 -9.23 13.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.962 1.705 . . . . 0.0 112.398 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -111.38 -43.76 3.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.189 -0.944 . . . . 0.0 112.731 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 tp -71.53 -31.09 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.03 -1.044 . . . . 0.0 111.285 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.2 tt -52.21 -37.77 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.489 0.716 . . . . 0.0 111.091 166.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -81.74 -39.63 23.9 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.444 1.097 . . . . 0.0 113.183 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.63 -45.92 64.3 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.232 0.924 . . . . 0.0 112.672 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.31 -41.91 89.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.984 171.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.35 -34.77 72.79 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.98 1.264 . . . . 0.0 112.478 172.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.36 -45.46 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.864 0.865 . . . . 0.0 110.747 170.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.58 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.997 0.817 . . . . 0.0 112.915 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.0 t -64.04 -49.25 73.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.306 1.843 . . . . 0.0 112.215 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.75 -33.84 74.6 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.007 -1.058 . . . . 0.0 112.569 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 ttt -68.15 -45.12 74.42 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tp -69.43 -30.72 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.139 0.881 . . . . 0.0 111.696 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.24 -32.97 68.84 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.499 1.045 . . . . 0.0 112.952 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.53 -32.71 71.45 Favored Glycine 0 CA--C 1.54 1.644 0 O-C-N 120.871 -1.143 . . . . 0.0 113.539 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.93 74.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.514 -0.992 . . . . 0.0 113.189 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.61 -31.86 73.26 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.168 -0.957 . . . . 0.0 112.806 171.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.18 -24.14 76.79 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.945 1.259 . . . . 0.0 113.754 172.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.8 -34.5 52.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.635 1.218 . . . . 0.0 112.187 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -34.72 73.14 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.294 -0.879 . . . . 0.0 113.038 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -27.38 68.43 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.938 -1.101 . . . . 0.0 112.893 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -69.39 -28.98 66.65 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.317 1.447 . . . . 0.0 112.566 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -80.28 -31.75 38.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.429 0.691 . . . . 0.0 112.355 169.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.61 -24.67 64.0 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 119.392 0.996 . . . . 0.0 112.82 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -63.92 -31.42 72.6 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 168.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -77.23 -27.99 53.55 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.559 1.144 . . . . 0.0 112.187 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.9 p -130.69 68.69 1.47 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.275 1.83 . . . . 0.0 110.607 -175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -53.6 166.43 0.31 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.133 1.373 . . . . 0.0 113.476 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.11 50.58 0.21 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.835 1.654 . . . . 0.0 113.915 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -117.13 -61.45 1.71 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.88 2.072 . . . . 0.0 109.469 -167.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -75.7 -24.14 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.576 0.751 . . . . 0.0 112.493 165.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -24.47 66.09 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.424 1.09 . . . . 0.0 112.654 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.84 -34.1 71.18 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.162 0.985 . . . . 0.0 113.449 172.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.17 -45.2 6.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.379 1.472 . . . . 0.0 110.531 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.79 -25.68 60.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.706 176.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -40.96 -32.9 0.26 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.898 1.679 . . . . 0.0 114.679 172.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -52.59 -26.47 13.52 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 172.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.68 -33.11 2.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.526 1.53 . . . . 0.0 111.922 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.18 -42.03 60.51 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.571 1.548 . . . . 0.0 112.202 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.22 -29.85 71.11 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.454 -0.779 . . . . 0.0 111.145 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -82.37 -29.42 30.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.063 1.345 . . . . 0.0 113.324 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.31 -45.25 48.65 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.914 -1.116 . . . . 0.0 109.515 175.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.59 -30.9 69.75 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.322 169.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 p -60.15 -39.75 87.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.459 1.936 . . . . 0.0 112.278 169.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -31.03 69.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 116.12 -1.895 . . . . 0.0 112.459 168.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.4 mm -61.82 -46.91 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 121.873 2.124 . . . . 0.0 112.154 172.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.02 93.16 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 122.14 2.245 . . . . 0.0 112.568 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.07 -40.91 71.32 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.002 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -62.39 -41.42 98.63 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 125.704 1.602 . . . . 0.0 112.023 169.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.32 -43.32 83.23 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.534 1.515 . . . . 0.0 111.207 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.24 -54.82 14.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.655 0.782 . . . . 0.0 112.261 168.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.0 -3.47 10.15 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 119.845 -1.784 . . . . 0.0 114.498 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.1 -69.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 126.773 2.029 . . . . 0.0 107.699 160.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -76.93 -48.12 19.08 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -59.56 -38.18 80.42 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.165 -1.584 . . . . 0.0 112.21 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -80.07 -42.26 24.02 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.692 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.84 -37.97 60.82 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.907 -1.52 . . . . 0.0 110.729 166.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.88 -51.9 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.946 1.248 . . . . 0.0 112.267 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -73.92 -16.92 61.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -11.09 56.82 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.26 1.824 . . . . 0.0 113.732 171.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.7 mt -54.81 135.07 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.916 1.286 . . . . 0.0 110.259 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -97.96 161.62 13.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.198 1.399 . . . . 0.0 112.09 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.0 p -96.29 152.25 18.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.576 1.951 . . . . 0.0 111.494 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.263 1.425 . . . . 0.0 112.049 -177.593 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.08 -32.18 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 119.614 -1.929 . . . . 0.0 114.167 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.94 76.04 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 170.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -63.06 -50.19 71.58 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.41 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -44.42 15.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.883 1.22 . . . . 0.0 112.008 169.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -52.8 62.17 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.506 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.5 -31.78 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.706 1.139 . . . . 0.0 113.023 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.34 -55.85 7.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.815 1.646 . . . . 0.0 111.393 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.25 -35.1 63.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 117.52 -1.228 . . . . 0.0 110.934 173.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.84 -52.77 50.15 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 118.218 -1.324 . . . . 0.0 113.672 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.65 -33.02 74.69 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.239 2.019 . . . . 0.0 112.802 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -49.19 46.97 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.556 -0.715 . . . . 0.0 111.753 175.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -65.67 -20.04 66.14 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 116.957 -1.496 . . . . 0.0 112.435 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -41.6 75.5 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 121.383 1.901 . . . . 0.0 111.988 174.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.41 -37.96 77.7 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.577 -0.702 . . . . 0.0 112.414 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.71 -25.75 64.93 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.79 -1.194 . . . . 0.0 113.83 172.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 120.303 -1.498 . . . . 0.0 109.813 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.11 -24.87 68.1 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.588 1.555 . . . . 0.0 112.427 165.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -82.78 -27.11 31.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.42 1.088 . . . . 0.0 112.465 170.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -64.05 -26.77 68.7 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.24 -1.538 . . . . 0.0 112.974 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.31 -33.83 54.96 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.719 -0.613 . . . . 0.0 112.014 166.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.43 -41.36 61.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.388 1.075 . . . . 0.0 112.703 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.98 -35.28 78.03 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.602 1.092 . . . . 0.0 111.779 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -42.0 66.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.432 1.493 . . . . 0.0 110.929 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -26.29 33.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.418 1.087 . . . . 0.0 113.013 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.78 -26.26 60.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.977 0.911 . . . . 0.0 113.422 173.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -88.1 -46.3 9.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.923 1.289 . . . . 0.0 112.495 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 20.91 4.72 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.826 1.25 . . . . 0.0 113.597 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -55.88 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.949 2.1 . . . . 0.0 112.778 -174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -146.92 -76.82 0.18 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.901 1.68 . . . . 0.0 112.671 -173.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -145.07 -54.34 0.3 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.302 1.441 . . . . 0.0 111.533 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.79 -7.05 4.28 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -50.9 -27.51 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.119 1.768 . . . . 0.0 114.206 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -114.76 8.37 16.1 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.838 1.255 . . . . 0.0 113.123 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -124.91 -50.09 1.72 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.6 1.56 . . . . 0.0 112.109 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.83 -24.58 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 121.724 -0.61 . . . . 0.0 112.02 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.7 -42.39 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.641 -0.662 . . . . 0.0 111.01 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.73 -41.69 44.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.393 1.077 . . . . 0.0 111.881 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.45 -46.53 88.12 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.853 0.751 . . . . 0.0 112.284 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.1 tp -73.19 -37.69 66.4 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.82 -39.65 65.71 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.914 1.234 . . . . 0.0 112.363 166.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -45.3 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 119.101 0.864 . . . . 0.0 111.424 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -30.85 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.865 0.757 . . . . 0.0 112.67 175.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.43 -53.34 44.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.489 1.916 . . . . 0.0 110.825 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -28.75 69.85 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.912 -1.117 . . . . 0.0 113.199 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 ttt -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.097 -1.002 . . . . 0.0 112.188 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -25.36 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 123.237 0.615 . . . . 0.0 112.151 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.49 -48.77 76.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.478 1.111 . . . . 0.0 111.044 164.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.86 -41.64 84.26 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.679 0.657 . . . . 0.0 112.626 175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.74 74.71 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -63.12 -47.72 81.6 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.979 0.912 . . . . 0.0 111.655 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.12 98.0 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 123.864 0.745 . . . . 0.0 112.407 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.588 1.194 . . . . 0.0 112.73 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -45.61 92.08 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.97 0.804 . . . . 0.0 112.151 176.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.36 -34.43 77.29 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.706 1.139 . . . . 0.0 112.746 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -69.03 -40.55 78.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.657 1.183 . . . . 0.0 112.71 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -65.77 -36.9 84.85 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.966 0.803 . . . . 0.0 111.77 167.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.85 -40.3 92.35 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.271 0.941 . . . . 0.0 112.524 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -56.71 -39.17 73.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.649 1.179 . . . . 0.0 112.924 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -74.75 -30.88 61.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.325 1.05 . . . . 0.0 113.112 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -100.31 31.47 3.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.891 1.676 . . . . 0.0 111.553 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.07 78.78 4.06 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.262 -1.524 . . . . 0.0 110.568 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.41 176.5 7.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.465 1.106 . . . . 0.0 112.529 -174.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.07 -34.59 66.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.462 1.105 . . . . 0.0 113.898 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -60.76 -27.09 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.927 -1.108 . . . . 0.0 113.613 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tp -70.96 -21.36 62.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.575 1.15 . . . . 0.0 112.324 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.07 -25.48 68.13 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.044 0.838 . . . . 0.0 112.655 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.98 -46.42 6.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.185 0.994 . . . . 0.0 111.625 171.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.42 -19.85 16.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -34.38 1.91 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.976 1.31 . . . . 0.0 113.467 171.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.34 -30.39 39.12 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -120.38 -38.5 2.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.635 1.174 . . . . 0.0 113.682 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.23 -48.3 68.25 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.682 1.583 . . . . 0.0 112.699 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.23 76.53 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.55 -0.719 . . . . 0.0 110.817 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.36 -26.63 65.68 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 169.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -47.08 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.756 1.162 . . . . 0.0 111.303 167.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.26 -40.49 96.1 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.602 1.547 . . . . 0.0 112.111 173.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 t -52.77 -44.93 66.88 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.549 0.739 . . . . 0.0 111.558 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -60.13 -40.6 90.36 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 115.969 -1.967 . . . . 0.0 113.388 167.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.96 -53.5 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 123.104 2.683 . . . . 0.0 111.636 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -43.02 98.3 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.834 1.652 . . . . 0.0 111.329 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -32.38 73.88 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.107 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -38.13 68.23 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.7 2.0 . . . . 0.0 112.05 173.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -63.69 -47.16 82.3 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 120.719 1.599 . . . . 0.0 110.943 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.55 -58.98 6.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 110.9 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -11.22 60.68 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 119.172 -2.205 . . . . 0.0 114.772 177.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.53 -70.24 0.38 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.68 1.582 . . . . 0.0 108.506 160.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.7 m -88.18 -33.96 17.99 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.196 1.362 . . . . 0.0 114.669 -166.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.19 87.07 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.927 1.694 . . . . 0.0 111.703 166.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -75.6 -38.32 59.13 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.159 -1.588 . . . . 0.0 111.395 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -56.73 -37.34 70.84 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.402 -1.285 . . . . 0.0 110.597 165.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.23 -49.92 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 120.67 1.577 . . . . 0.0 112.422 170.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mppt? -79.23 -10.05 59.72 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -96.04 -13.28 23.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.082 1.753 . . . . 0.0 113.956 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 8.4 mt -53.81 137.13 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.262 1.425 . . . . 0.0 111.352 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -90.86 152.95 20.55 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 124.822 1.249 . . . . 0.0 113.246 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.7 p -88.46 155.46 19.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.105 1.762 . . . . 0.0 110.997 165.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 124.922 1.289 . . . . 0.0 112.089 -174.162 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.36 -24.77 63.66 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 119.037 -0.506 . . . . 0.0 112.228 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.13 -48.2 45.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.86 2.064 . . . . 0.0 115.745 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -66.67 -42.47 86.49 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -56.04 -36.59 68.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.814 0.846 . . . . 0.0 112.842 166.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.88 69.13 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.648 -1.283 . . . . 0.0 112.366 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -72.37 -36.02 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 120.723 1.601 . . . . 0.0 110.711 171.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -63.49 -62.87 1.39 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.183 -1.573 . . . . 0.0 111.093 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -40.47 97.08 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 124.616 1.166 . . . . 0.0 110.51 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.78 56.19 Favored Glycine 0 N--CA 1.467 0.703 0 CA-C-N 120.826 1.648 . . . . 0.0 113.503 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.21 -38.88 89.02 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.586 1.193 . . . . 0.0 112.187 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -65.25 -42.29 93.45 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.219 0.918 . . . . 0.0 112.783 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -81.09 -19.42 43.69 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 124.856 1.262 . . . . 0.0 112.226 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.66 -42.2 98.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.449 1.477 . . . . 0.0 111.523 166.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.96 -36.03 82.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.467 0.707 . . . . 0.0 111.372 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.149 0.98 . . . . 0.0 112.626 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -26.73 68.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.979 1.712 . . . . 0.0 111.752 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.9 -24.85 39.87 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.454 1.102 . . . . 0.0 113.458 169.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -80.89 -25.32 37.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.858 -1.151 . . . . 0.0 112.589 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.54 -32.57 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.811 -1.181 . . . . 0.0 110.938 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.14 -38.74 71.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.225 0.61 . . . . 0.0 111.585 170.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.53 -42.96 64.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.172 0.989 . . . . 0.0 112.043 174.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -61.25 -36.48 80.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.096 1.317 . . . . 0.0 112.451 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -36.17 64.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.787 1.635 . . . . 0.0 112.171 172.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -29.87 34.19 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.54 1.518 . . . . 0.0 112.808 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.75 -27.87 62.28 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.471 1.108 . . . . 0.0 113.901 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -87.58 -45.47 10.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.573 1.149 . . . . 0.0 112.425 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 11.46 13.64 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.451 1.101 . . . . 0.0 113.447 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.9 t -45.92 101.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.603 1.961 . . . . 0.0 113.459 -174.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -155.99 -72.74 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.883 1.273 . . . . 0.0 112.26 -171.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -146.64 -51.6 0.22 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.265 1.826 . . . . 0.0 113.09 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 53' ' ' GLU . 4.3 mm? -60.01 -10.27 4.01 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 16.93 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 C-N-CA 130.591 3.556 . . . . 0.0 116.659 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 51' ' ' LEU . 19.9 tt0 -159.03 -13.49 0.06 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 129.369 3.068 . . . . 0.0 112.021 -176.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -114.81 -46.76 2.92 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.185 1.794 . . . . 0.0 111.377 -171.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 tp -71.26 -27.0 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.37 -0.831 . . . . 0.0 111.74 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 tt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.487 0.715 . . . . 0.0 110.74 166.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -80.98 -35.28 32.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.124 0.97 . . . . 0.0 112.518 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.85 -47.57 65.63 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.32 0.963 . . . . 0.0 112.489 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -38.76 85.71 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.557 -0.714 . . . . 0.0 110.211 174.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -60.21 -36.03 76.75 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.696 1.134 . . . . 0.0 112.409 169.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -48.56 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.196 0.907 . . . . 0.0 110.92 174.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -74.76 -31.59 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.102 0.864 . . . . 0.0 111.782 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.12 -51.83 66.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.02 1.728 . . . . 0.0 111.399 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.92 78.64 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.774 -1.204 . . . . 0.0 112.736 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttp -67.7 -43.23 80.6 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.487 -0.758 . . . . 0.0 112.089 174.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -29.87 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.911 0.885 . . . . 0.0 112.197 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.91 -47.28 68.09 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.722 1.146 . . . . 0.0 111.188 165.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.08 -39.85 98.16 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.515 -0.74 . . . . 0.0 112.976 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.56 88.03 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.33 1.065 . . . . 0.0 113.228 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -65.52 -47.9 74.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.848 0.859 . . . . 0.0 110.891 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.4 59.78 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.939 1.257 . . . . 0.0 112.633 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.2 73.78 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 118.584 1.192 . . . . 0.0 113.157 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -48.37 79.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.964 0.802 . . . . 0.0 112.157 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -35.59 80.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.068 173.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -60.06 -47.39 86.08 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.212 1.823 . . . . 0.0 113.789 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.62 -41.53 86.1 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.058 0.543 . . . . 0.0 111.704 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.18 -35.91 66.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.297 1.039 . . . . 0.0 113.404 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -63.42 -30.42 71.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 119.971 -1.706 . . . . 0.0 112.581 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.46 -14.26 56.09 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.844 1.658 . . . . 0.0 113.83 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.9 p -129.16 36.84 4.12 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.587 2.355 . . . . 0.0 111.397 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -75.16 76.91 2.31 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.902 1.681 . . . . 0.0 111.946 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 -165.21 0.98 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.353 1.061 . . . . 0.0 111.047 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -73.6 -34.43 65.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.321 1.048 . . . . 0.0 112.972 -177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.81 -26.82 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.865 0.866 . . . . 0.0 112.985 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -30.35 70.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.437 1.095 . . . . 0.0 112.256 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -67.24 -33.19 74.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.065 0.848 . . . . 0.0 112.275 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -84.16 -40.22 18.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.663 1.185 . . . . 0.0 111.86 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -30.69 71.76 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.596 0.758 . . . . 0.0 112.225 173.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -48.01 -31.37 5.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.441 1.496 . . . . 0.0 113.35 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -52.1 -27.96 15.94 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -120.54 -33.52 3.82 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.066 1.346 . . . . 0.0 111.738 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -51.31 17.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.246 1.418 . . . . 0.0 112.005 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.74 98.24 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.972 -1.08 . . . . 0.0 110.315 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -66.27 -27.51 68.0 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.257 -0.902 . . . . 0.0 112.693 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -47.59 85.33 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.125 0.875 . . . . 0.0 111.013 167.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.63 -38.88 92.52 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.547 1.067 . . . . 0.0 111.706 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.6 t -52.61 -43.0 65.08 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 120.092 1.314 . . . . 0.0 111.885 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -65.8 -32.59 74.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.033 -1.461 . . . . 0.0 113.184 171.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.3 mm -54.93 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 121.071 1.76 . . . . 0.0 110.798 172.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -38.52 79.66 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.394 2.361 . . . . 0.0 112.942 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.73 -41.99 82.58 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.8 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -63.83 -40.55 96.86 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 126.256 1.823 . . . . 0.0 111.738 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.42 -42.1 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.957 2.162 . . . . 0.0 111.827 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -56.45 9.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.52 1.128 . . . . 0.0 110.209 168.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -69.14 2.12 3.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.992 -1.692 . . . . 0.0 114.991 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.26 -70.45 0.71 Allowed 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 128.526 2.731 . . . . 0.0 107.079 165.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.5 m -80.26 -38.68 30.43 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.286 1.403 . . . . 0.0 113.451 -170.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.51 78.25 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.161 -1.587 . . . . 0.0 111.003 173.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -74.22 -42.52 59.63 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.866 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -54.29 -39.32 66.83 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 116.679 -1.629 . . . . 0.0 110.406 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.47 -53.79 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.442 1.473 . . . . 0.0 112.312 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -21.62 63.19 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 174.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.39 -13.81 57.88 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.835 1.654 . . . . 0.0 113.848 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.3 mt -52.56 129.62 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.921 1.288 . . . . 0.0 110.661 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -83.07 160.07 22.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.595 1.188 . . . . 0.0 113.23 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.3 p -106.91 146.45 30.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.253 1.821 . . . . 0.0 110.234 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.39 0 C-N-CA 124.957 1.303 . . . . 0.0 112.127 -171.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.48 -30.26 12.35 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.278 -1.514 . . . . 0.0 113.173 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.65 63.17 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.924 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.58 -38.93 77.56 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.475 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -37.03 71.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 120.611 1.55 . . . . 0.0 112.858 171.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.29 -51.1 56.82 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.9 -34.68 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 119.99 1.268 . . . . 0.0 111.46 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.91 -59.81 3.77 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 120.737 -1.227 . . . . 0.0 109.684 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.73 -31.16 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 117.1 -1.428 . . . . 0.0 111.071 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.51 -52.1 22.96 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.911 1.687 . . . . 0.0 113.764 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.74 -34.22 77.69 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.844 -1.386 . . . . 0.0 112.936 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -72.27 -37.23 69.09 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.237 -1.539 . . . . 0.0 112.936 168.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.97 -24.31 66.76 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.745 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 121.956 2.162 . . . . 0.0 111.762 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.7 -43.02 76.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 112.163 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -70.56 -29.96 66.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.579 1.152 . . . . 0.0 113.378 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -76.77 -30.52 56.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.015 2.126 . . . . 0.0 111.759 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.76 -24.92 64.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 113.308 164.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -82.1 -28.17 32.46 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.711 1.142 . . . . 0.0 112.465 169.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -64.29 -27.4 69.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.924 -1.11 . . . . 0.0 112.636 173.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.83 -59.89 3.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.08 0.552 . . . . 0.0 110.326 165.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.93 -31.55 69.96 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -51.05 69.73 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.841 1.656 . . . . 0.0 112.101 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -32.03 32.19 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.137 -0.352 . . . . 0.0 111.692 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -57.24 -29.35 63.71 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 119.753 -1.842 . . . . 0.0 111.773 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.67 -17.75 62.22 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.93 -42.49 8.27 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.49 1.116 . . . . 0.0 111.825 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 13.42 8.96 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.364 1.466 . . . . 0.0 113.658 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 p -50.89 94.03 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.37 2.668 . . . . 0.0 112.8 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -138.73 -69.22 0.43 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.793 1.637 . . . . 0.0 111.174 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -148.95 -53.49 0.17 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.182 1.793 . . . . 0.0 111.848 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.03 -2.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -29.82 41.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.931 1.692 . . . . 0.0 113.37 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -111.29 7.98 21.26 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -119.93 -47.31 2.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.397 1.879 . . . . 0.0 111.321 -171.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.86 -27.11 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.592 0.757 . . . . 0.0 111.74 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tt -54.51 -43.92 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.641 1.176 . . . . 0.0 110.545 163.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -76.21 -37.23 58.04 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.865 0.757 . . . . 0.0 112.323 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -66.89 -47.1 72.86 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.25 0.932 . . . . 0.0 112.493 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.9 tp -68.34 -38.33 81.4 Favored 'General case' 0 C--O 1.221 -0.436 0 O-C-N 121.922 -0.486 . . . . 0.0 111.222 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.54 -36.27 78.02 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.16 -0.963 . . . . 0.0 112.836 167.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -58.66 -46.32 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 119.343 0.974 . . . . 0.0 110.869 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.18 -25.26 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.909 0.777 . . . . 0.0 112.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -37.47 63.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.029 1.286 . . . . 0.0 113.244 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.04 -29.2 57.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.75 0.82 . . . . 0.0 112.348 171.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.9 ttt -73.41 -40.39 64.31 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.098 -1.001 . . . . 0.0 111.976 172.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tp -69.25 -31.1 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.51 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.57 -45.13 66.32 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.827 1.649 . . . . 0.0 111.862 165.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.9 -38.25 88.03 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 120.885 -1.134 . . . . 0.0 113.332 176.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.65 56.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.009 1.324 . . . . 0.0 113.073 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.19 -44.73 95.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.246 -0.909 . . . . 0.0 111.23 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.51 -45.49 89.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.3 1.905 . . . . 0.0 112.625 171.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.76 97.94 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.488 1.644 . . . . 0.0 112.931 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -45.23 81.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 112.768 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.82 -35.84 75.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.975 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -42.69 99.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.155 1.343 . . . . 0.0 113.169 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -64.39 -42.13 96.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.862 0.465 . . . . 0.0 111.345 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -36.5 84.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.252 1.021 . . . . 0.0 112.486 169.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -32.73 74.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.19 -1.569 . . . . 0.0 113.054 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -61.1 -19.06 61.02 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.626 1.17 . . . . 0.0 114.018 167.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -126.89 20.48 7.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.14 2.176 . . . . 0.0 113.351 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.33 72.53 0.08 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 127.593 2.357 . . . . 0.0 111.736 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.44 -173.75 2.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.725 1.61 . . . . 0.0 111.23 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -63.98 -31.9 73.25 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -58.14 -22.95 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -26.91 68.39 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.72 1.608 . . . . 0.0 113.414 175.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.17 -34.44 63.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.907 0.883 . . . . 0.0 112.347 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.48 -46.25 33.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.554 0.742 . . . . 0.0 110.428 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -29.28 69.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.228 1.011 . . . . 0.0 113.217 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.21 -28.11 7.03 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.734 1.614 . . . . 0.0 113.217 176.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -48.33 -32.86 8.02 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 171.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.48 -35.89 3.31 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.004 2.121 . . . . 0.0 113.251 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.0 -36.5 69.77 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.353 -1.467 . . . . 0.0 112.752 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.29 71.45 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 120.492 -1.38 . . . . 0.0 111.764 171.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -80.29 -36.83 33.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.339 1.056 . . . . 0.0 112.151 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -40.69 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.7 -36.6 76.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.536 169.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.1 p -62.4 -33.68 75.24 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 122.641 2.473 . . . . 0.0 112.932 170.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.89 -31.69 72.0 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 116.23 -1.843 . . . . 0.0 112.403 164.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mt -63.63 -46.1 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 123.197 2.726 . . . . 0.0 113.008 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.08 92.16 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 121.019 1.736 . . . . 0.0 111.635 176.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.8 tp -63.51 -37.77 88.58 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.25 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.51 -46.18 84.08 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -39.3 94.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 120.997 1.726 . . . . 0.0 112.242 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.51 -62.18 2.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.523 1.529 . . . . 0.0 110.05 166.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -70.46 -0.21 7.93 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.421 -2.049 . . . . 0.0 115.212 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.71 -67.56 0.82 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.397 2.279 . . . . 0.0 107.554 162.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.9 m -92.16 -31.75 15.36 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -167.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -42.33 98.04 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.73 1.605 . . . . 0.0 110.696 165.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -80.53 -38.29 29.98 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.344 -0.848 . . . . 0.0 110.513 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -56.62 -35.71 68.62 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 116.287 -1.816 . . . . 0.0 111.138 163.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.74 -50.96 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 121.11 1.777 . . . . 0.0 111.747 172.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -76.45 -13.03 60.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.32 -10.6 37.72 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.404 1.881 . . . . 0.0 113.866 173.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 mt -51.94 132.98 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.713 1.605 . . . . 0.0 110.107 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -98.59 148.63 23.6 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 122.3 1.048 . . . . 0.0 111.463 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.2 p -90.69 146.37 24.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.71 1.604 . . . . 0.0 111.42 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.847 1.659 . . . . 0.0 112.692 -170.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -52.49 -25.89 11.46 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.146 -1.596 . . . . 0.0 113.212 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -60.29 4.06 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 167.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.37 -43.45 98.8 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.358 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.28 -33.48 74.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.224 0.92 . . . . 0.0 112.728 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.78 12.61 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.478 172.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.61 -36.57 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 120.041 1.291 . . . . 0.0 111.779 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.15 -55.7 29.28 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 119.62 -1.925 . . . . 0.0 111.316 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -50.12 68.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.227 175.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.74 -50.37 68.31 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 125.6 1.572 . . . . 0.0 114.378 -175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.54 -36.34 78.2 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.676 1.238 . . . . 0.0 111.812 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -72.8 -34.15 66.7 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.654 -0.654 . . . . 0.0 111.792 171.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -22.53 66.6 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 116.436 -1.745 . . . . 0.0 111.753 170.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.23 -21.94 65.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.878 2.126 . . . . 0.0 112.674 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -25.11 17.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 169.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -40.89 34.35 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 111.971 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.67 -21.72 29.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.045 1.338 . . . . 0.0 113.671 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -59.17 -26.18 64.57 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.269 1.028 . . . . 0.0 111.394 173.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -69.31 -38.58 78.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.114 0.966 . . . . 0.0 113.011 168.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -66.06 -30.94 71.56 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.718 -1.239 . . . . 0.0 112.577 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.51 -46.59 83.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.802 0.728 . . . . 0.0 111.011 168.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.9 -41.2 95.8 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.451 1.023 . . . . 0.0 112.983 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -40.83 81.26 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.046 -1.034 . . . . 0.0 111.913 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -35.88 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.064 1.345 . . . . 0.0 111.442 172.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -31.43 60.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.028 1.74 . . . . 0.0 112.045 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.7 -22.48 62.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.83 1.252 . . . . 0.0 113.43 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.65 -50.09 6.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.502 1.121 . . . . 0.0 111.72 173.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 13.72 2.84 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.698 1.199 . . . . 0.0 113.933 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.64 91.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.546 1.938 . . . . 0.0 113.194 -171.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -141.27 -65.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.251 1.42 . . . . 0.0 112.401 -170.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -143.99 -54.52 0.36 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.477 1.511 . . . . 0.0 111.059 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.38 11.18 2.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.11 -23.84 1.4 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.781 2.033 . . . . 0.0 115.662 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.05 8.08 7.32 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.39 1.076 . . . . 0.0 113.03 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -114.0 -41.58 3.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.7 tp -73.93 -29.45 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 119.735 1.152 . . . . 0.0 110.776 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.6 tt -51.61 -49.08 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.823 0.849 . . . . 0.0 109.95 164.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -69.99 -39.68 75.78 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.805 0.842 . . . . 0.0 113.091 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.33 -52.31 64.18 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.108 1.322 . . . . 0.0 111.76 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -69.74 -35.3 74.85 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.469 -0.769 . . . . 0.0 112.105 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.3 -40.27 85.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.879 0.872 . . . . 0.0 112.91 166.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 t -61.14 -43.78 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -33.48 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.288 1.404 . . . . 0.0 112.768 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.26 79.57 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.756 1.162 . . . . 0.0 111.788 176.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.73 69.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.43 -1.419 . . . . 0.0 112.088 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.3 tpt -63.52 -45.98 88.13 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.404 0.681 . . . . 0.0 111.39 169.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -28.79 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 121.631 -0.668 . . . . 0.0 112.176 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -26.99 62.29 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.495 1.118 . . . . 0.0 112.352 170.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.11 -23.15 78.26 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 120.946 -1.096 . . . . 0.0 114.53 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.864 1.332 . . . . 0.0 112.261 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -24.54 66.08 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.341 -0.849 . . . . 0.0 112.476 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.7 67.2 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.088 0.852 . . . . 0.0 113.321 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.56 -33.56 58.51 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.109 0.955 . . . . 0.0 112.03 166.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -36.63 76.67 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.004 0.922 . . . . 0.0 112.282 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -27.75 64.72 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.392 -1.442 . . . . 0.0 113.325 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -42.64 68.49 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.081 1.752 . . . . 0.0 112.527 174.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.47 -35.67 80.04 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.845 -0.598 . . . . 0.0 111.018 170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -31.29 64.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -73.79 -30.04 62.52 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.07 0.948 . . . . 0.0 112.893 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -80.83 -30.41 35.76 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.246 1.418 . . . . 0.0 112.28 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.2 p -129.62 74.75 1.61 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.307 2.243 . . . . 0.0 109.828 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.45 168.09 0.42 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.073 0.949 . . . . 0.0 112.113 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.59 49.28 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.897 1.679 . . . . 0.0 114.38 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -120.4 -59.59 1.76 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.604 1.961 . . . . 0.0 111.339 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.33 -32.62 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.645 -0.66 . . . . 0.0 111.321 168.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -21.63 66.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.309 0.643 . . . . 0.0 112.173 -178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.8 -44.81 86.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.473 1.109 . . . . 0.0 113.038 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -35.58 28.06 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.354 0.524 . . . . 0.0 111.96 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -18.44 64.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.79 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.52 -31.4 1.1 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.363 1.438 . . . . 0.0 113.171 170.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -51.73 -25.4 7.36 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -131.16 -30.83 1.71 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.289 1.436 . . . . 0.0 112.354 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.29 -43.3 61.23 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.211 1.404 . . . . 0.0 112.242 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.88 73.54 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 120.587 -1.32 . . . . 0.0 110.989 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -74.85 -39.7 61.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.416 1.087 . . . . 0.0 112.119 175.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -41.46 75.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.586 1.085 . . . . 0.0 111.628 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.37 -34.14 70.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.34 -0.85 . . . . 0.0 111.513 171.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -61.09 -28.18 68.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.878 1.672 . . . . 0.0 112.297 168.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.54 -31.64 69.96 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.635 -1.65 . . . . 0.0 112.777 165.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.71 -46.51 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.313 2.324 . . . . 0.0 112.239 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -41.21 85.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.42 1.918 . . . . 0.0 111.75 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.56 -37.16 84.36 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.774 -0.579 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -62.83 -43.94 97.47 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-O 116.6 -1.667 . . . . 0.0 111.692 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.3 77.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 122.801 2.546 . . . . 0.0 112.473 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.65 -60.73 2.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.332 0.653 . . . . 0.0 111.207 166.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -66.59 -4.71 9.24 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 119.466 -2.021 . . . . 0.0 114.246 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.594 1.958 . . . . 0.0 108.075 165.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.5 m -91.68 -42.31 10.24 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -170.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.04 81.33 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 121.132 1.787 . . . . 0.0 111.74 167.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.64 -46.04 55.97 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.138 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -55.06 -34.83 63.9 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.962 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -53.0 -50.97 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 120.671 1.578 . . . . 0.0 111.206 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -75.8 -16.15 60.14 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.789 -1.194 . . . . 0.0 113.351 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.99 -19.76 33.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.788 1.635 . . . . 0.0 114.0 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.7 mt -51.36 129.34 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 110.277 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -91.35 154.87 18.91 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 122.101 0.953 . . . . 0.0 113.386 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.5 p -92.98 138.46 31.46 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 125.236 1.414 . . . . 0.0 110.796 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 . . . . . 0 C--O 1.255 1.344 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -170.229 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -27.74 10.36 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.628 -1.295 . . . . 0.0 113.212 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.51 -55.7 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.833 0.742 . . . . 0.0 112.677 170.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.16 -38.5 88.23 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.256 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -61.13 -34.37 74.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.598 1.09 . . . . 0.0 113.465 171.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.82 68.19 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.253 0.933 . . . . 0.0 112.219 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.31 -40.4 77.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-N 119.602 1.092 . . . . 0.0 110.681 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.04 -59.46 5.05 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 121.468 1.94 . . . . 0.0 111.696 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -62.25 -43.27 99.2 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.686 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.86 -56.94 21.98 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 119.991 1.269 . . . . 0.0 113.335 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.63 -35.44 77.9 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.786 1.634 . . . . 0.0 112.607 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -70.84 -44.04 67.28 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.065 -1.022 . . . . 0.0 111.606 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.47 -26.9 68.93 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-O 117.364 -1.303 . . . . 0.0 112.051 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.9 -32.12 73.53 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 121.824 2.102 . . . . 0.0 112.456 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.92 95.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.51 0.724 . . . . 0.0 110.882 165.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.63 -33.46 66.65 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.254 1.021 . . . . 0.0 113.21 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -25.06 68.21 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.751 2.42 . . . . 0.0 110.634 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.73 -21.49 41.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.986 0.914 . . . . 0.0 113.418 167.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -78.39 -27.35 46.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.603 -1.311 . . . . 0.0 111.762 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -67.33 -27.8 67.44 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.863 0.865 . . . . 0.0 111.845 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.09 -57.28 12.81 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.29 -0.862 . . . . 0.0 108.822 165.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -39.81 77.54 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -44.51 93.7 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.212 -0.93 . . . . 0.0 112.894 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.41 -39.71 27.81 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.457 1.103 . . . . 0.0 109.976 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.62 -26.89 67.36 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.282 1.033 . . . . 0.0 112.108 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.48 -23.05 66.2 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 166.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -95.17 -43.59 8.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.357 1.063 . . . . 0.0 112.054 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 11.21 13.68 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.884 1.273 . . . . 0.0 113.703 175.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -44.18 86.26 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 129.257 3.023 . . . . 0.0 115.348 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -127.35 -59.76 1.22 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.12 1.368 . . . . 0.0 112.427 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.32 -53.04 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.916 1.287 . . . . 0.0 111.74 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mp -66.62 -0.28 2.76 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -51.2 -28.43 11.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.093 1.757 . . . . 0.0 114.186 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -120.36 12.69 11.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.548 1.139 . . . . 0.0 112.262 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -119.69 -49.98 2.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.932 1.693 . . . . 0.0 111.605 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.78 -25.11 25.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.72 -0.612 . . . . 0.0 111.875 174.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.29 -44.05 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.289 0.95 . . . . 0.0 110.703 163.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mmm-85 -81.54 -38.98 25.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.346 1.058 . . . . 0.0 112.609 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.08 -46.48 70.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.196 0.998 . . . . 0.0 112.03 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -42.1 76.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.517 174.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.0 -38.69 70.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.627 1.558 . . . . 0.0 112.739 170.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -46.58 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.28 -0.887 . . . . 0.0 110.832 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.28 -28.44 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.664 0.665 . . . . 0.0 112.659 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.49 -45.32 72.65 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.112 1.765 . . . . 0.0 111.163 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.71 69.43 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.268 1.027 . . . . 0.0 112.674 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.3 ttt -71.17 -43.35 67.66 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.112 -0.993 . . . . 0.0 112.226 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 tp -68.4 -38.45 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.594 172.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.77 -47.53 50.93 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 111.469 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.25 -36.4 68.77 Favored Glycine 0 CA--C 1.54 1.597 0 O-C-N 120.293 -1.504 . . . . 0.0 114.223 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.41 64.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.405 1.082 . . . . 0.0 113.395 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -61.61 -44.18 97.48 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.257 -0.902 . . . . 0.0 111.518 168.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.29 -47.19 50.91 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.41 1.005 . . . . 0.0 111.642 168.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.64 99.67 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.868 1.334 . . . . 0.0 113.856 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -50.15 71.48 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.253 0.933 . . . . 0.0 112.162 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -68.01 -32.15 72.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.63 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.29 95.16 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.662 1.185 . . . . 0.0 113.192 173.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.72 -42.2 86.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.455 0.57 . . . . 0.0 110.544 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.56 -37.91 88.01 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.323 169.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.33 1.38 0.52 Allowed 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 121.308 1.867 . . . . 0.0 115.26 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -110.57 -5.28 15.12 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.553 1.541 . . . . 0.0 112.647 168.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -139.03 35.28 2.13 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.792 2.437 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -105.95 104.56 14.29 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 110.14 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -123.13 -159.29 0.83 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.12 1.368 . . . . 0.0 109.563 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -76.7 -26.0 54.22 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.995 -1.066 . . . . 0.0 112.529 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -54.21 -24.29 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 171.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -32.95 66.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.886 1.221 . . . . 0.0 112.687 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.35 -29.23 70.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.514 0.726 . . . . 0.0 112.55 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -93.26 -42.93 9.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.963 1.305 . . . . 0.0 111.68 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.82 -25.95 67.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.888 1.275 . . . . 0.0 112.315 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -46.9 -29.65 2.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -50.93 -27.92 8.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.05 -32.98 2.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.472 1.909 . . . . 0.0 112.738 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.35 -39.79 71.09 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.434 -1.416 . . . . 0.0 113.235 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.93 -33.69 75.87 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 119.138 0.881 . . . . 0.0 110.42 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -73.99 -41.54 61.77 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.37 1.068 . . . . 0.0 112.673 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -42.9 86.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.668 1.122 . . . . 0.0 111.672 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.85 -32.52 69.56 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.71 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -56.59 -42.65 79.05 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 121.963 2.165 . . . . 0.0 111.699 170.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -59.17 -29.75 67.68 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 116.897 -1.525 . . . . 0.0 112.883 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.49 -52.37 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 121.487 1.949 . . . . 0.0 111.086 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -38.92 72.21 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.347 1.43 . . . . 0.0 111.618 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.74 -37.98 64.92 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 116.773 -1.584 . . . . 0.0 112.09 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -56.8 -43.98 81.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.264 1.826 . . . . 0.0 111.009 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -71.35 -37.15 71.69 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.182 0.593 . . . . 0.0 111.303 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 mp -65.17 -60.18 3.29 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.622 0.769 . . . . 0.0 111.103 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -6.37 6.76 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 118.186 -2.821 . . . . 0.0 115.17 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.18 -69.93 0.5 Allowed 'General case' 0 C--O 1.22 -0.462 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 156.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.3 m -81.72 -42.59 19.63 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.233 1.379 . . . . 0.0 114.608 -168.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -46.18 88.79 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.623 1.569 . . . . 0.0 111.691 170.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.02 -39.66 55.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.051 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -54.93 -38.46 67.7 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 116.583 -1.675 . . . . 0.0 110.446 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.74 -52.33 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 120.484 1.493 . . . . 0.0 111.93 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -14.59 61.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -91.02 -9.36 46.2 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.549 1.939 . . . . 0.0 114.108 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.0 mt -52.87 137.26 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 110.485 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -100.39 146.4 27.04 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.372 1.069 . . . . 0.0 112.135 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 p -85.48 123.02 30.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.984 1.314 . . . . 0.0 111.168 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.38 1.872 . . . . 0.0 115.553 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.58 -29.05 64.15 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.517 -0.74 . . . . 0.0 111.532 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.94 -56.66 13.6 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.986 1.315 . . . . 0.0 113.463 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -68.75 -39.81 80.12 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.01 -32.34 70.79 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.244 0.929 . . . . 0.0 112.654 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.51 59.91 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.939 0.79 . . . . 0.0 112.515 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.93 -36.18 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 120.11 1.323 . . . . 0.0 111.007 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.85 -48.74 65.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 119.883 -1.761 . . . . 0.0 111.6 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.16 -33.66 38.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 117.359 -1.305 . . . . 0.0 112.776 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.16 51.03 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 119.941 1.246 . . . . 0.0 112.828 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.13 -39.8 90.15 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.04 1.336 . . . . 0.0 111.576 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.02 -46.64 88.28 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 0.0 111.804 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.63 -18.0 63.56 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.168 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.36 -39.53 89.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.712 1.596 . . . . 0.0 110.532 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.85 -41.27 97.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.218 1.007 . . . . 0.0 112.635 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -66.88 -30.55 70.74 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.829 1.195 . . . . 0.0 113.031 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -27.4 69.17 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.343 1.057 . . . . 0.0 112.038 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -55.72 -20.31 14.02 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.554 1.142 . . . . 0.0 113.733 168.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -83.65 -25.79 30.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.935 -1.103 . . . . 0.0 113.016 171.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -68.0 -27.0 66.18 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.745 -1.222 . . . . 0.0 112.0 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.09 -38.91 68.71 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.381 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -42.12 79.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.73 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -35.25 69.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.273 1.029 . . . . 0.0 112.543 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -35.9 25.21 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.631 1.972 . . . . 0.0 111.611 175.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.82 61.45 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.83 1.195 . . . . 0.0 112.539 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.74 -22.34 65.23 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.245 1.418 . . . . 0.0 114.676 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.06 -42.99 8.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.878 1.271 . . . . 0.0 111.684 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.81 19.47 6.51 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.472 1.509 . . . . 0.0 113.938 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 p -57.14 80.11 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 128.551 2.74 . . . . 0.0 114.593 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -131.57 -68.66 0.64 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.477 1.511 . . . . 0.0 111.996 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -145.83 -54.66 0.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.444 . . . . 0.0 111.089 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.54 6.06 2.64 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -52.46 -27.54 16.53 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.182 1.393 . . . . 0.0 113.785 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -116.83 12.03 14.65 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.889 1.275 . . . . 0.0 112.727 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -120.96 -47.52 2.28 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.112 1.765 . . . . 0.0 112.452 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.6 tp -73.29 -27.42 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 121.326 -0.859 . . . . 0.0 111.21 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -53.34 -39.84 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.63 0.772 . . . . 0.0 111.381 163.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -77.48 -39.26 47.13 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.415 1.086 . . . . 0.0 112.124 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.31 -45.18 66.77 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.567 1.076 . . . . 0.0 113.367 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -39.75 91.76 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.796 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -57.63 -43.55 84.92 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.22 1.373 . . . . 0.0 112.192 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.92 -46.25 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.859 -1.151 . . . . 0.0 112.063 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -30.51 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.629 0.65 . . . . 0.0 112.512 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.2 t -64.29 -52.1 60.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.985 2.114 . . . . 0.0 111.567 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.98 74.75 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 112.495 174.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ttt -67.82 -47.36 69.27 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.154 -0.966 . . . . 0.0 112.005 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -33.35 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 121.616 -0.677 . . . . 0.0 111.76 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.64 -53.72 53.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.233 1.413 . . . . 0.0 110.51 168.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.51 -36.63 71.38 Favored Glycine 0 CA--C 1.54 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 113.398 173.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.53 86.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.252 1.026 . . . . 0.0 113.209 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.82 -38.01 89.53 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.598 1.09 . . . . 0.0 111.256 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.41 -40.57 54.11 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.434 1.492 . . . . 0.0 113.833 169.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.27 72.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.9 1.35 . . . . 0.0 112.729 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -48.89 76.22 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.994 0.918 . . . . 0.0 112.144 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.41 -33.22 75.45 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.293 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -65.93 -45.51 81.59 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.002 1.274 . . . . 0.0 112.807 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.73 -38.59 85.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.199 0.454 . . . . 0.0 111.924 171.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -35.31 74.55 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.81 -23.23 67.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.56 1.544 . . . . 0.0 113.738 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -79.19 -5.46 54.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.132 1.373 . . . . 0.0 113.976 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.8 t -129.78 34.74 4.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.808 1.643 . . . . 0.0 111.665 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 63.43 0.3 Allowed 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.574 1.55 . . . . 0.0 112.803 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 -179.29 3.9 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.014 1.325 . . . . 0.0 112.131 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.7 -33.45 71.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.397 1.479 . . . . 0.0 113.681 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.97 -25.11 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.056 -1.028 . . . . 0.0 113.618 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.2 -24.43 64.94 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.794 0.837 . . . . 0.0 112.255 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.83 -33.99 62.26 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.199 1.363 . . . . 0.0 112.028 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -50.43 32.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.345 1.058 . . . . 0.0 111.149 169.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.72 -22.21 64.35 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.746 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -50.91 -28.22 9.21 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.842 1.656 . . . . 0.0 112.892 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.12 -36.24 18.41 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.972 0.806 . . . . 0.0 112.998 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.42 -39.8 3.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.636 1.174 . . . . 0.0 112.306 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.47 -43.95 88.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.802 1.183 . . . . 0.0 113.538 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.34 80.44 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 120.012 1.278 . . . . 0.0 111.536 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -73.58 -28.33 61.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.623 0.769 . . . . 0.0 112.183 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.21 -47.09 84.0 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.583 -1.323 . . . . 0.0 110.396 167.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.57 -40.04 95.95 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.662 171.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -59.15 -33.49 70.97 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.101 1.773 . . . . 0.0 112.966 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -28.55 67.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 117.153 -1.403 . . . . 0.0 112.614 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.4 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 121.477 1.944 . . . . 0.0 111.948 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -37.87 88.92 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 121.389 1.904 . . . . 0.0 112.019 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.94 -42.16 66.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.305 0.642 . . . . 0.0 109.767 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -53.71 -46.83 70.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.501 1.92 . . . . 0.0 112.059 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -61.59 -39.73 92.26 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.184 1.356 . . . . 0.0 112.099 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.12 -64.25 0.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.981 0.912 . . . . 0.0 111.098 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 1.2 4.01 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 121.056 1.753 . . . . 0.0 115.417 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -81.87 -70.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.774 1.229 . . . . 0.0 108.156 157.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 47.2 m -85.3 -32.54 22.46 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -165.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -39.58 72.7 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.091 -1.631 . . . . 0.0 112.074 168.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -41.96 63.05 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.329 -0.857 . . . . 0.0 109.814 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -54.38 -38.85 66.62 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.122 -1.418 . . . . 0.0 111.375 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.15 -49.92 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 120.796 1.634 . . . . 0.0 112.146 170.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -76.28 -13.89 60.14 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -93.2 -14.49 27.04 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.386 1.875 . . . . 0.0 113.646 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 mt -52.73 141.16 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.628 1.171 . . . . 0.0 110.59 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -111.85 158.75 19.05 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.384 1.088 . . . . 0.0 112.649 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 p -95.66 128.85 42.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.896 1.678 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.444 1.897 . . . . 0.0 115.131 -164.134 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -26.69 36.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.862 -1.149 . . . . 0.0 112.064 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.43 -57.33 13.2 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.305 1.042 . . . . 0.0 112.619 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -62.95 -45.09 94.12 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.384 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -60.73 -32.45 71.72 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.7 -53.65 55.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.863 1.21 . . . . 0.0 111.497 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.61 -38.67 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.631 1.105 . . . . 0.0 111.894 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -42.97 98.96 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 119.325 -2.109 . . . . 0.0 112.186 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -83.88 -39.45 19.86 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.07 173.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.98 11.76 Favored Glycine 0 N--CA 1.469 0.884 0 C-N-CA 124.556 1.074 . . . . 0.0 113.046 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.99 -32.23 67.69 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.684 1.194 . . . . 0.0 112.954 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -70.58 -47.61 59.39 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.238 0.926 . . . . 0.0 112.624 170.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -71.57 -13.7 61.86 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.682 1.193 . . . . 0.0 113.456 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.67 -30.78 70.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.328 1.451 . . . . 0.0 111.979 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.05 -34.39 76.37 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.752 -0.593 . . . . 0.0 112.253 163.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -40.23 94.51 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.341 -0.85 . . . . 0.0 111.029 170.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -29.34 59.39 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.17 1.388 . . . . 0.0 112.356 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -56.82 -20.2 21.35 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 120.403 -1.436 . . . . 0.0 114.323 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -83.57 -29.03 28.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.909 1.683 . . . . 0.0 112.82 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -58.09 -32.6 68.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.072 0.851 . . . . 0.0 110.435 169.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.7 -41.19 90.22 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 119.351 0.978 . . . . 0.0 111.544 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -40.7 68.04 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.386 1.074 . . . . 0.0 113.016 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.58 -35.65 80.19 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.686 -1.259 . . . . 0.0 111.956 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -32.09 45.0 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.365 1.466 . . . . 0.0 112.522 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.59 54.02 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.285 1.857 . . . . 0.0 112.344 176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.47 -18.0 64.31 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.483 1.513 . . . . 0.0 114.771 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -38.41 8.66 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.197 1.399 . . . . 0.0 112.11 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 18.72 10.74 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.506 1.523 . . . . 0.0 113.442 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 p -54.77 87.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 128.281 2.632 . . . . 0.0 114.434 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -138.79 -72.3 0.4 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.585 1.554 . . . . 0.0 111.637 -171.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -149.71 -56.35 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.191 1.396 . . . . 0.0 110.855 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.96 0.99 1.56 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.34 -33.14 28.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.951 1.7 . . . . 0.0 115.067 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.73 8.08 20.54 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.347 1.059 . . . . 0.0 112.87 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -118.87 -44.85 2.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.983 1.713 . . . . 0.0 112.117 -171.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.4 tp -70.85 -30.21 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.642 0.777 . . . . 0.0 110.936 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 tt -50.81 -41.93 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.461 165.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.07 -39.94 54.31 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.257 1.023 . . . . 0.0 113.393 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.06 -49.06 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.881 1.219 . . . . 0.0 112.914 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -34.37 72.19 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.559 -0.713 . . . . 0.0 111.652 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.12 -39.52 86.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.634 1.106 . . . . 0.0 111.875 166.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -45.73 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.374 0.988 . . . . 0.0 110.312 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -33.76 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 118.812 0.733 . . . . 0.0 112.821 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.05 -44.42 80.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.213 1.405 . . . . 0.0 111.864 175.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.91 -35.35 74.51 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.64 1.176 . . . . 0.0 112.534 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -48.63 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.851 0.86 . . . . 0.0 111.525 173.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -38.41 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.845 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -52.09 -40.9 61.92 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.401 1.08 . . . . 0.0 112.336 167.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.51 98.49 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.205 -1.559 . . . . 0.0 113.826 171.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.68 58.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.487 1.115 . . . . 0.0 113.939 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -60.75 -43.89 97.4 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.222 -0.924 . . . . 0.0 111.242 168.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.05 -37.66 54.41 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.793 1.187 . . . . 0.0 113.533 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.93 -43.63 64.97 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.941 1.371 . . . . 0.0 113.066 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -47.51 82.43 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.262 0.625 . . . . 0.0 112.165 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.21 -34.76 76.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.117 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -57.13 -47.25 81.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.884 1.22 . . . . 0.0 112.254 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.89 -40.95 97.71 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.399 0.28 . . . . 0.0 111.405 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -37.04 83.41 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -27.24 68.04 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.758 1.223 . . . . 0.0 112.887 175.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -75.77 -20.42 58.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.752 1.621 . . . . 0.0 113.18 171.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.9 p -122.83 39.77 3.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.99 2.116 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.83 85.78 4.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.975 1.71 . . . . 0.0 111.56 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.4 -171.23 2.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.714 1.605 . . . . 0.0 111.18 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -72.71 -25.2 61.14 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.399 -1.438 . . . . 0.0 113.65 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.55 -28.38 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 172.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -30.23 68.76 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.621 1.168 . . . . 0.0 111.631 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.86 -30.9 68.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.571 1.078 . . . . 0.0 113.005 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -42.86 14.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.88 1.272 . . . . 0.0 110.816 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -21.81 64.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 117.261 -1.352 . . . . 0.0 112.111 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -33.84 3.45 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.2 1.8 . . . . 0.0 112.422 177.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -47.9 -27.24 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -129.77 -30.14 2.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.384 1.873 . . . . 0.0 112.481 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -74.25 -42.23 60.0 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.479 -1.388 . . . . 0.0 112.764 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.21 73.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.889 0.768 . . . . 0.0 110.999 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.91 -38.15 38.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.925 1.29 . . . . 0.0 112.682 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -42.45 82.83 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.55 -1.344 . . . . 0.0 110.867 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.27 -32.17 64.5 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.33 -1.319 . . . . 0.0 112.8 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 p -57.92 -42.88 85.73 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 122.384 2.357 . . . . 0.0 111.007 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -56.85 -33.16 66.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 116.574 -1.679 . . . . 0.0 113.428 169.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mm -59.29 -57.22 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 121.56 1.982 . . . . 0.0 110.801 173.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -40.58 87.52 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.429 1.468 . . . . 0.0 112.662 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.45 -41.74 93.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 111.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -63.45 -44.11 95.44 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 125.863 1.665 . . . . 0.0 110.969 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -63.64 -36.62 84.43 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 121.219 1.827 . . . . 0.0 111.776 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.03 -58.21 6.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.657 0.783 . . . . 0.0 111.086 165.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -65.04 -3.41 3.57 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 119.458 -2.026 . . . . 0.0 114.67 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.94 -73.59 0.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.735 2.014 . . . . 0.0 106.995 163.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.0 m -77.69 -36.68 50.89 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.959 1.254 . . . . 0.0 113.645 -168.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.98 -41.31 78.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.348 1.459 . . . . 0.0 111.036 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -79.87 -39.08 31.33 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.468 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -54.49 -39.38 67.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 116.243 -1.837 . . . . 0.0 110.584 163.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.65 -51.79 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 120.98 1.718 . . . . 0.0 111.978 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -66.46 -28.47 68.62 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.043 -1.036 . . . . 0.0 113.229 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.56 -7.74 59.63 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.473 1.909 . . . . 0.0 114.599 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.1 mt -54.81 134.13 18.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 124.114 0.965 . . . . 0.0 109.827 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -91.44 152.1 20.52 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 122.555 1.169 . . . . 0.0 112.031 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.3 p -85.85 149.8 24.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.002 1.321 . . . . 0.0 110.894 168.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.72 -1.609 . . . . 0.0 113.219 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -45.52 -35.77 4.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -53.83 52.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.134 0.879 . . . . 0.0 113.282 174.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.4 -46.84 68.89 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 123.625 0.77 . . . . 0.0 109.839 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -57.29 -36.23 70.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.106 0.866 . . . . 0.0 113.079 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.23 90.79 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.762 1.165 . . . . 0.0 112.894 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.9 -30.63 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.219 1.827 . . . . 0.0 112.715 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.12 -52.39 59.38 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.82 -1.175 . . . . 0.0 110.679 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -76.38 -34.45 58.89 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.888 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.0 -47.51 73.31 Favored Glycine 0 N--CA 1.466 0.663 0 CA-C-N 119.839 1.2 . . . . 0.0 113.328 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.93 -30.74 67.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.315 1.558 . . . . 0.0 112.921 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -76.64 -35.92 57.72 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.159 -0.963 . . . . 0.0 112.309 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.07 -15.06 52.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.799 1.24 . . . . 0.0 112.75 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.84 -46.45 89.22 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 121.118 1.781 . . . . 0.0 110.225 166.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.83 -49.73 75.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.688 0.795 . . . . 0.0 110.75 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -59.05 -33.81 71.2 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.451 -0.78 . . . . 0.0 112.677 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.2 -25.99 49.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.934 2.094 . . . . 0.0 112.505 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.26 -30.45 68.29 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.37 1.068 . . . . 0.0 112.546 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -74.12 -24.49 59.46 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.946 -1.096 . . . . 0.0 112.68 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -18.94 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.298 1.439 . . . . 0.0 112.674 172.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.61 -31.89 69.03 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.131 -0.98 . . . . 0.0 110.847 164.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.03 -42.97 56.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.287 1.035 . . . . 0.0 112.705 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -61.85 -30.57 70.94 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.976 -1.078 . . . . 0.0 112.46 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -36.19 58.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.435 1.894 . . . . 0.0 111.673 172.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -23.64 25.42 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.889 1.222 . . . . 0.0 113.156 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -72.4 -30.93 65.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.941 1.296 . . . . 0.0 114.176 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -83.01 -50.82 8.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.149 1.38 . . . . 0.0 111.937 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 17.38 3.31 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 179.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -55.12 88.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.404 2.282 . . . . 0.0 113.739 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -137.49 -71.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.639 1.576 . . . . 0.0 112.168 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -147.98 -54.17 0.2 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.242 1.417 . . . . 0.0 112.037 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.99 -0.92 2.61 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -52.32 -24.62 7.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.803 2.041 . . . . 0.0 115.295 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.51 10.91 13.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.031 1.332 . . . . 0.0 112.851 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.34 -47.73 1.99 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.361 1.864 . . . . 0.0 112.039 -172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.74 -25.39 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.583 -0.698 . . . . 0.0 111.8 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.7 tt -51.89 -42.05 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.11 0.564 . . . . 0.0 110.609 163.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -74.72 -36.53 62.69 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.387 1.075 . . . . 0.0 112.355 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.14 -50.35 64.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.801 0.84 . . . . 0.0 112.379 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mt -70.27 -32.9 70.92 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.503 -0.748 . . . . 0.0 111.881 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.62 -39.31 80.11 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.535 1.061 . . . . 0.0 112.119 165.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -59.9 -46.76 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.416 1.007 . . . . 0.0 111.264 174.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -34.77 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.12 0.873 . . . . 0.0 112.493 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.46 -55.22 36.1 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.111 1.765 . . . . 0.0 111.557 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.66 76.15 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.231 1.012 . . . . 0.0 112.403 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.9 ttt -67.63 -44.77 77.2 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 112.21 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tt -76.98 -26.74 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.175 0.898 . . . . 0.0 112.476 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.77 -57.02 14.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.333 1.453 . . . . 0.0 110.474 165.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.08 96.63 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.528 -0.732 . . . . 0.0 113.304 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.1 95.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.896 0.878 . . . . 0.0 112.686 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.93 -37.48 81.7 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.143 -0.973 . . . . 0.0 111.999 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.74 55.44 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.01 0.814 . . . . 0.0 112.368 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.38 85.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 118.038 0.919 . . . . 0.0 112.936 171.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -47.6 79.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.056 0.844 . . . . 0.0 112.85 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.72 -37.21 84.23 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.454 -0.779 . . . . 0.0 112.462 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.58 -36.68 83.23 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 112.86 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -66.64 -35.1 79.37 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.395 -0.815 . . . . 0.0 111.295 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -37.96 84.43 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -58.99 -34.2 71.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.719 1.145 . . . . 0.0 112.794 172.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -75.41 -15.95 60.4 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.684 1.593 . . . . 0.0 113.919 173.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -124.8 33.27 5.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.128 1.771 . . . . 0.0 111.735 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.58 93.93 7.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.409 1.484 . . . . 0.0 109.434 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -131.53 -176.83 4.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.007 1.323 . . . . 0.0 111.38 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.44 -34.06 64.13 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.717 0.807 . . . . 0.0 112.432 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -60.55 -24.13 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -29.15 69.93 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 120.236 1.38 . . . . 0.0 111.503 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -67.86 -31.36 71.13 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.688 1.131 . . . . 0.0 112.785 174.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.17 -44.38 12.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.971 0.908 . . . . 0.0 111.575 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -23.21 64.82 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.6 1.16 . . . . 0.0 112.035 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -49.42 -28.77 5.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.387 1.449 . . . . 0.0 113.452 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -47.17 -33.09 4.89 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 169.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.74 -37.73 2.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.575 1.55 . . . . 0.0 113.118 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.83 -49.13 78.7 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.832 -1.168 . . . . 0.0 112.301 170.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.92 79.29 Favored 'General case' 0 C--N 1.342 0.265 0 O-C-N 120.68 -1.263 . . . . 0.0 112.261 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -71.42 -29.53 65.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.265 0.626 . . . . 0.0 112.07 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -48.84 76.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.345 0.975 . . . . 0.0 111.029 167.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.83 -38.53 91.44 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.36 1.437 . . . . 0.0 111.579 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -54.12 -46.6 72.2 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.625 1.102 . . . . 0.0 111.739 170.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -62.34 -33.25 74.35 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 116.184 -1.865 . . . . 0.0 112.698 170.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.79 -50.84 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.691 2.496 . . . . 0.0 112.013 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -40.47 95.53 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 121.083 1.765 . . . . 0.0 111.83 176.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.17 -36.37 83.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.613 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.41 -36.75 63.48 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.703 1.601 . . . . 0.0 112.223 171.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -59.26 -41.7 89.44 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 121.725 2.057 . . . . 0.0 110.797 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.97 -60.16 2.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.151 0.98 . . . . 0.0 111.519 167.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -68.44 -4.5 15.05 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 121.332 1.878 . . . . 0.0 115.367 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.46 -85.21 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.727 1.611 . . . . 0.0 107.265 156.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -69.06 -32.01 71.19 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -164.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.49 -40.75 66.66 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 121.108 1.776 . . . . 0.0 112.654 172.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -80.03 -41.6 25.45 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -55.2 -36.06 65.53 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.984 -1.484 . . . . 0.0 111.567 161.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -53.75 -52.23 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 120.999 1.727 . . . . 0.0 111.344 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -72.35 -16.36 61.87 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -86.31 -14.08 44.68 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.502 1.521 . . . . 0.0 114.014 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 8.3 mt -51.3 129.75 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.805 1.242 . . . . 0.0 110.936 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.56 158.45 32.48 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.47 1.129 . . . . 0.0 113.099 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 p -99.18 144.48 28.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.927 1.291 . . . . 0.0 110.282 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.149 1.779 . . . . 0.0 113.483 -168.492 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 120.164 0.03 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -137.79 170.28 16.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.526 1.53 . . . . 0.0 112.518 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -156.89 147.13 21.15 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.236 1.814 . . . . 0.0 111.832 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -157.58 66.27 0.49 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.43 1.11 . . . . 0.0 111.431 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -153.33 168.07 27.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.885 1.274 . . . . 0.0 112.391 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 54.78 99.04 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.39 2.676 . . . . 0.0 115.089 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.29 148.77 43.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.781 1.232 . . . . 0.0 111.1 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -138.2 121.4 16.91 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.468 1.507 . . . . 0.0 109.812 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -156.08 174.0 16.0 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.071 1.748 . . . . 0.0 110.354 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.83 151.86 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.247 2.219 . . . . 0.0 114.227 -171.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -149.8 166.24 30.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.408 1.483 . . . . 0.0 111.009 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.84 162.56 21.93 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.985 1.314 . . . . 0.0 111.83 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.94 73.94 1.03 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.551 1.54 . . . . 0.0 110.845 -173.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 tt -153.2 -179.53 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 125.319 1.448 . . . . 0.0 110.925 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.17 141.52 11.15 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.982 1.313 . . . . 0.0 112.095 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -29.94 66.34 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.795 1.634 . . . . 0.0 113.406 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -49.97 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.709 1.14 . . . . 0.0 112.696 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.93 -43.48 87.97 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.927 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -57.67 -39.09 76.31 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.0 1.273 . . . . 0.0 111.539 170.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.18 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 119.114 0.87 . . . . 0.0 112.722 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.9 pt -66.43 -41.18 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.001 1.273 . . . . 0.0 111.377 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.89 -53.99 50.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.222 0.919 . . . . 0.0 111.135 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -62.65 -50.94 69.22 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 117.77 -1.11 . . . . 0.0 110.443 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.16 83.8 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.93 1.241 . . . . 0.0 113.25 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.07 -41.25 70.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.027 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -63.05 -40.72 98.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 120.361 -1.462 . . . . 0.0 112.279 172.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -26.03 57.2 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.732 176.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.99 -44.54 94.45 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.586 1.994 . . . . 0.0 111.593 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.72 -32.13 71.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.061 0.944 . . . . 0.0 112.483 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -38.37 47.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.709 0.803 . . . . 0.0 111.957 173.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.54 -26.96 68.94 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.206 1.802 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -55.96 -24.06 36.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.016 0.926 . . . . 0.0 113.484 166.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -79.59 -29.97 41.4 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.845 -1.16 . . . . 0.0 112.342 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.37 -29.38 70.45 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.861 -1.149 . . . . 0.0 111.66 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.72 -40.55 75.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.033 166.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.82 -39.19 69.97 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.917 0.887 . . . . 0.0 111.431 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -48.18 75.38 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.502 -0.749 . . . . 0.0 110.967 172.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -33.25 68.13 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.757 1.223 . . . . 0.0 112.291 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.68 66.87 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.855 1.661 . . . . 0.0 112.458 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.31 -18.36 64.49 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.099 0.959 . . . . 0.0 113.39 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -93.85 -48.16 6.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.095 1.758 . . . . 0.0 111.494 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 12.14 6.07 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.23 79.32 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 128.15 2.58 . . . . 0.0 114.531 -171.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -133.65 -51.36 0.85 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.495 1.518 . . . . 0.0 113.391 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -150.25 -71.98 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.294 1.037 . . . . 0.0 111.512 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -69.09 19.23 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.13 -32.86 56.36 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.537 1.935 . . . . 0.0 114.362 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -111.03 4.2 19.29 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.65 1.18 . . . . 0.0 112.222 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -104.12 -51.25 3.17 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.606 1.562 . . . . 0.0 111.111 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tp -69.2 -30.38 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.006 0.922 . . . . 0.0 113.102 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 tt -53.07 -42.06 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.066 0.946 . . . . 0.0 111.796 164.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -80.78 -31.99 35.6 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 125.469 1.508 . . . . 0.0 112.884 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.98 -43.68 70.98 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.801 1.182 . . . . 0.0 111.949 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.07 -31.56 61.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.799 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.26 -39.59 79.62 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.125 0.875 . . . . 0.0 112.394 160.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.24 -47.45 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.64 1.109 . . . . 0.0 111.689 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -74.3 -34.32 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.931 0.787 . . . . 0.0 112.021 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.93 -55.07 38.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.62 1.168 . . . . 0.0 112.108 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.6 71.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.018 0.927 . . . . 0.0 112.784 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.8 ttt -69.49 -43.13 73.76 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.312 -0.867 . . . . 0.0 112.325 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -32.23 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.733 0.813 . . . . 0.0 112.29 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.75 -39.42 73.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.656 1.583 . . . . 0.0 111.138 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.33 -27.84 68.34 Favored Glycine 0 CA--C 1.536 1.378 0 O-C-N 121.094 -1.004 . . . . 0.0 114.536 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.85 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.789 1.294 . . . . 0.0 112.574 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -66.08 -34.71 78.69 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.491 -0.755 . . . . 0.0 111.522 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.12 -36.46 61.57 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.357 0.98 . . . . 0.0 113.638 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.36 -36.96 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 117.813 0.807 . . . . 0.0 112.234 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.45 72.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.056 0.942 . . . . 0.0 111.632 173.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.93 -33.07 72.59 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.528 -1.358 . . . . 0.0 113.113 174.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.49 -36.08 63.26 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.664 -0.647 . . . . 0.0 112.052 171.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -61.04 -34.6 75.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.366 0.53 . . . . 0.0 111.833 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.9 55.02 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -78.56 -27.69 45.86 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.604 1.162 . . . . 0.0 112.698 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -79.66 -32.48 41.54 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.104 1.361 . . . . 0.0 112.11 167.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -123.58 69.53 1.04 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.067 1.747 . . . . 0.0 110.565 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.05 169.55 2.63 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.339 -0.85 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.74 61.02 0.96 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.502 1.521 . . . . 0.0 111.748 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -128.02 -64.49 0.96 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.908 2.083 . . . . 0.0 109.982 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.47 -32.72 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 121.456 -0.777 . . . . 0.0 111.702 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.7 -27.24 67.73 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.34 0.656 . . . . 0.0 111.773 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.27 -27.66 66.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.636 0.774 . . . . 0.0 112.886 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -105.46 -39.55 6.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.365 1.066 . . . . 0.0 111.489 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -21.67 38.44 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.154 0.981 . . . . 0.0 112.247 172.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -33.83 0.84 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.213 1.405 . . . . 0.0 114.432 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -52.64 -23.92 7.47 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.12 -33.12 1.98 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.222 1.409 . . . . 0.0 111.646 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.8 -43.27 59.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.2 1.0 . . . . 0.0 111.864 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.31 70.62 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.035 -1.041 . . . . 0.0 111.405 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.79 -43.3 65.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.248 171.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -42.44 82.71 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.708 1.14 . . . . 0.0 111.307 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.78 -34.5 75.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.113 171.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -41.28 78.09 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.869 1.668 . . . . 0.0 111.697 168.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -63.08 -34.05 76.76 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 115.63 -2.128 . . . . 0.0 112.144 168.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.27 -47.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 123.016 2.644 . . . . 0.0 112.034 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -41.5 97.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.518 1.963 . . . . 0.0 112.172 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.2 tp -70.1 -39.49 75.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -59.15 -44.02 92.06 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 127.128 2.171 . . . . 0.0 111.631 170.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -60.33 -39.46 87.15 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.156 1.343 . . . . 0.0 112.068 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -56.6 6.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.208 1.003 . . . . 0.0 111.692 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -6.95 39.26 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 119.462 -2.024 . . . . 0.0 114.144 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.52 -74.22 0.26 Allowed 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.4 m -82.14 -36.71 27.17 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -165.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -43.88 76.04 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.994 -1.691 . . . . 0.0 111.498 171.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.56 -38.81 65.1 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.966 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -41.64 71.75 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 116.414 -1.755 . . . . 0.0 110.244 166.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -50.78 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 121.298 1.863 . . . . 0.0 112.444 172.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -73.29 -13.14 61.07 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.02 -8.18 22.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.423 1.889 . . . . 0.0 113.498 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.8 mt -57.02 137.0 19.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 124.646 1.178 . . . . 0.0 110.187 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -104.14 159.13 15.94 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 122.53 1.157 . . . . 0.0 111.645 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.8 p -103.3 146.71 28.05 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 125.665 1.586 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.048 -173.649 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mttp . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 120.023 -0.037 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 135.24 44.02 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.146 1.378 . . . . 0.0 110.965 174.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.23 151.53 13.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.83 1.652 . . . . 0.0 109.272 170.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -153.46 100.41 2.42 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.222 0.534 . . . . 0.0 110.899 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -149.61 -57.03 0.19 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.863 0.865 . . . . 0.0 111.939 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 52.02 171.54 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.109 1.764 . . . . 0.0 114.056 -162.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -121.07 166.95 13.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.232 1.813 . . . . 0.0 109.05 173.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -135.16 132.2 37.71 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.907 0.883 . . . . 0.0 111.331 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -155.11 138.59 15.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.912 1.685 . . . . 0.0 109.912 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -157.12 160.43 38.82 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.886 1.274 . . . . 0.0 111.152 173.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -71.13 166.45 21.41 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.558 0.694 . . . . 0.0 111.057 166.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.3 mt -136.85 165.15 26.64 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.903 1.281 . . . . 0.0 110.048 -174.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.16 -176.61 4.0 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.027 1.731 . . . . 0.0 110.27 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 pt 35.59 75.22 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 127.256 2.223 . . . . 0.0 114.494 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 64.83 93.47 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.398 2.279 . . . . 0.0 111.999 -173.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -55.5 -25.75 38.83 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.154 -0.966 . . . . 0.0 112.408 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.55 -54.37 43.95 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.961 1.255 . . . . 0.0 112.88 168.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -66.24 -46.19 78.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.231 0.612 . . . . 0.0 110.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -32.84 71.79 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.79 -51.39 62.5 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.246 0.93 . . . . 0.0 111.631 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.3 pt -72.06 -35.04 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.958 1.254 . . . . 0.0 111.987 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.02 -61.72 2.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.571 1.078 . . . . 0.0 110.632 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -70.33 -31.68 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 117.353 -1.308 . . . . 0.0 112.613 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.11 -45.19 57.55 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 120.06 1.3 . . . . 0.0 113.567 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.87 -38.11 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.885 1.342 . . . . 0.0 111.311 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -66.4 -40.61 89.72 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.122 -0.986 . . . . 0.0 111.014 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.733 -1.603 . . . . 0.0 113.093 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.16 -41.14 87.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 122.158 2.254 . . . . 0.0 111.406 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -45.89 90.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.901 0.88 . . . . 0.0 111.322 171.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.14 -33.95 76.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.874 0.87 . . . . 0.0 113.045 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -19.68 65.45 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.713 1.605 . . . . 0.0 112.565 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -55.39 -23.03 22.44 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.605 0.762 . . . . 0.0 113.028 165.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -77.19 -27.07 53.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.312 1.045 . . . . 0.0 112.932 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -27.28 66.48 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.755 -1.215 . . . . 0.0 110.616 175.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -56.63 -48.7 76.94 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.849 0.75 . . . . 0.0 110.379 168.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -66.31 -43.56 85.9 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.492 0.717 . . . . 0.0 112.497 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.13 -38.11 82.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.478 -0.764 . . . . 0.0 111.961 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -31.93 36.34 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.797 1.239 . . . . 0.0 110.97 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -31.18 52.93 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.709 1.595 . . . . 0.0 112.351 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -65.34 -25.7 67.71 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -42.28 12.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.81 1.244 . . . . 0.0 112.771 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.63 21.75 7.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.903 1.281 . . . . 0.0 113.74 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 p -55.98 83.81 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.246 2.218 . . . . 0.0 114.818 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -136.91 -83.09 0.36 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.098 1.759 . . . . 0.0 111.399 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -145.19 -52.78 0.28 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.299 1.44 . . . . 0.0 112.096 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.09 -11.17 1.01 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -57.54 -23.0 47.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.288 1.435 . . . . 0.0 114.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.15 -9.23 13.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.962 1.705 . . . . 0.0 112.398 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -111.38 -43.76 3.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.189 -0.944 . . . . 0.0 112.731 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 tp -71.53 -31.09 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.03 -1.044 . . . . 0.0 111.285 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.2 tt -52.21 -37.77 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.489 0.716 . . . . 0.0 111.091 166.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -81.74 -39.63 23.9 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.444 1.097 . . . . 0.0 113.183 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.63 -45.92 64.3 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.232 0.924 . . . . 0.0 112.672 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.31 -41.91 89.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.984 171.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.35 -34.77 72.79 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.98 1.264 . . . . 0.0 112.478 172.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.36 -45.46 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.864 0.865 . . . . 0.0 110.747 170.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.58 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.997 0.817 . . . . 0.0 112.915 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.0 t -64.04 -49.25 73.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.306 1.843 . . . . 0.0 112.215 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.75 -33.84 74.6 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.007 -1.058 . . . . 0.0 112.569 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 ttt -68.15 -45.12 74.42 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tp -69.43 -30.72 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.139 0.881 . . . . 0.0 111.696 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.24 -32.97 68.84 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.499 1.045 . . . . 0.0 112.952 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.53 -32.71 71.45 Favored Glycine 0 CA--C 1.54 1.644 0 O-C-N 120.871 -1.143 . . . . 0.0 113.539 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.93 74.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.514 -0.992 . . . . 0.0 113.189 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.61 -31.86 73.26 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.168 -0.957 . . . . 0.0 112.806 171.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.18 -24.14 76.79 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.945 1.259 . . . . 0.0 113.754 172.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.8 -34.5 52.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.635 1.218 . . . . 0.0 112.187 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -34.72 73.14 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.294 -0.879 . . . . 0.0 113.038 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -27.38 68.43 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.938 -1.101 . . . . 0.0 112.893 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -69.39 -28.98 66.65 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.317 1.447 . . . . 0.0 112.566 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -80.28 -31.75 38.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.429 0.691 . . . . 0.0 112.355 169.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.61 -24.67 64.0 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 119.392 0.996 . . . . 0.0 112.82 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -63.92 -31.42 72.6 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 168.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -77.23 -27.99 53.55 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.559 1.144 . . . . 0.0 112.187 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.9 p -130.69 68.69 1.47 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.275 1.83 . . . . 0.0 110.607 -175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -53.6 166.43 0.31 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.133 1.373 . . . . 0.0 113.476 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.11 50.58 0.21 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.835 1.654 . . . . 0.0 113.915 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -117.13 -61.45 1.71 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.88 2.072 . . . . 0.0 109.469 -167.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -75.7 -24.14 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.576 0.751 . . . . 0.0 112.493 165.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -24.47 66.09 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.424 1.09 . . . . 0.0 112.654 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.84 -34.1 71.18 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.162 0.985 . . . . 0.0 113.449 172.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.17 -45.2 6.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.379 1.472 . . . . 0.0 110.531 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.79 -25.68 60.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.706 176.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -40.96 -32.9 0.26 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.898 1.679 . . . . 0.0 114.679 172.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -52.59 -26.47 13.52 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 172.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.68 -33.11 2.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.526 1.53 . . . . 0.0 111.922 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.18 -42.03 60.51 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.571 1.548 . . . . 0.0 112.202 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.22 -29.85 71.11 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.454 -0.779 . . . . 0.0 111.145 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -82.37 -29.42 30.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.063 1.345 . . . . 0.0 113.324 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.31 -45.25 48.65 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.914 -1.116 . . . . 0.0 109.515 175.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.59 -30.9 69.75 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.322 169.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 p -60.15 -39.75 87.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.459 1.936 . . . . 0.0 112.278 169.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -31.03 69.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 116.12 -1.895 . . . . 0.0 112.459 168.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.4 mm -61.82 -46.91 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 121.873 2.124 . . . . 0.0 112.154 172.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.02 93.16 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 122.14 2.245 . . . . 0.0 112.568 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.07 -40.91 71.32 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.002 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -62.39 -41.42 98.63 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 125.704 1.602 . . . . 0.0 112.023 169.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.32 -43.32 83.23 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.534 1.515 . . . . 0.0 111.207 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.24 -54.82 14.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.655 0.782 . . . . 0.0 112.261 168.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.0 -3.47 10.15 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 119.845 -1.784 . . . . 0.0 114.498 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.1 -69.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 126.773 2.029 . . . . 0.0 107.699 160.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 m -76.93 -48.12 19.08 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -59.56 -38.18 80.42 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.165 -1.584 . . . . 0.0 112.21 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -80.07 -42.26 24.02 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.692 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.84 -37.97 60.82 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.907 -1.52 . . . . 0.0 110.729 166.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.88 -51.9 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.946 1.248 . . . . 0.0 112.267 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -73.92 -16.92 61.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -11.09 56.82 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.26 1.824 . . . . 0.0 113.732 171.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.7 mt -54.81 135.07 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.916 1.286 . . . . 0.0 110.259 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -97.96 161.62 13.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.198 1.399 . . . . 0.0 112.09 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.0 p -96.29 152.25 18.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.576 1.951 . . . . 0.0 111.494 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.263 1.425 . . . . 0.0 112.049 -177.593 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 119.252 -0.404 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -174.43 147.03 1.1 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 126.576 1.951 . . . . 0.0 111.53 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -161.32 135.38 6.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.073 1.749 . . . . 0.0 111.883 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -163.9 147.52 9.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.462 1.905 . . . . 0.0 111.67 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -90.35 111.36 22.55 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.1 0.96 . . . . 0.0 110.253 170.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 140.98 58.03 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.03 0.532 . . . . 0.0 111.946 175.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -145.68 179.65 7.3 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.453 1.901 . . . . 0.0 110.227 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 62.79 111.32 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.139 2.176 . . . . 0.0 115.053 -175.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -154.6 169.83 22.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.607 1.963 . . . . 0.0 111.774 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t0 66.35 174.67 0.24 Allowed 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 127.09 2.156 . . . . 0.0 113.5 -172.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -140.13 43.98 1.91 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.8 2.04 . . . . 0.0 111.361 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tt -151.21 131.7 13.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.685 1.994 . . . . 0.0 108.904 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.66 -63.38 1.28 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.602 1.161 . . . . 0.0 110.788 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 55.68 121.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 128.892 2.877 . . . . 0.0 114.018 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 52.27 107.66 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.998 2.119 . . . . 0.0 113.127 -175.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.08 -32.18 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 119.614 -1.929 . . . . 0.0 114.167 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.94 76.04 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 170.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -63.06 -50.19 71.58 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.41 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -44.42 15.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.883 1.22 . . . . 0.0 112.008 169.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -52.8 62.17 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.506 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.5 -31.78 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.706 1.139 . . . . 0.0 113.023 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.34 -55.85 7.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.815 1.646 . . . . 0.0 111.393 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.25 -35.1 63.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 117.52 -1.228 . . . . 0.0 110.934 173.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.84 -52.77 50.15 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 118.218 -1.324 . . . . 0.0 113.672 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.65 -33.02 74.69 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.239 2.019 . . . . 0.0 112.802 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -49.19 46.97 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.556 -0.715 . . . . 0.0 111.753 175.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -65.67 -20.04 66.14 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 116.957 -1.496 . . . . 0.0 112.435 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -41.6 75.5 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 121.383 1.901 . . . . 0.0 111.988 174.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.41 -37.96 77.7 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.577 -0.702 . . . . 0.0 112.414 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.71 -25.75 64.93 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.79 -1.194 . . . . 0.0 113.83 172.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 120.303 -1.498 . . . . 0.0 109.813 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.11 -24.87 68.1 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.588 1.555 . . . . 0.0 112.427 165.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -82.78 -27.11 31.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.42 1.088 . . . . 0.0 112.465 170.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -64.05 -26.77 68.7 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.24 -1.538 . . . . 0.0 112.974 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.31 -33.83 54.96 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.719 -0.613 . . . . 0.0 112.014 166.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.43 -41.36 61.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.388 1.075 . . . . 0.0 112.703 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.98 -35.28 78.03 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.602 1.092 . . . . 0.0 111.779 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -42.0 66.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.432 1.493 . . . . 0.0 110.929 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -26.29 33.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.418 1.087 . . . . 0.0 113.013 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.78 -26.26 60.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.977 0.911 . . . . 0.0 113.422 173.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -88.1 -46.3 9.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.923 1.289 . . . . 0.0 112.495 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 20.91 4.72 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.826 1.25 . . . . 0.0 113.597 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -55.88 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.949 2.1 . . . . 0.0 112.778 -174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -146.92 -76.82 0.18 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.901 1.68 . . . . 0.0 112.671 -173.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -145.07 -54.34 0.3 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.302 1.441 . . . . 0.0 111.533 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.79 -7.05 4.28 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -50.9 -27.51 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.119 1.768 . . . . 0.0 114.206 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -114.76 8.37 16.1 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.838 1.255 . . . . 0.0 113.123 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -124.91 -50.09 1.72 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.6 1.56 . . . . 0.0 112.109 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.83 -24.58 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 121.724 -0.61 . . . . 0.0 112.02 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.7 -42.39 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.641 -0.662 . . . . 0.0 111.01 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.73 -41.69 44.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.393 1.077 . . . . 0.0 111.881 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.45 -46.53 88.12 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.853 0.751 . . . . 0.0 112.284 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.1 tp -73.19 -37.69 66.4 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.82 -39.65 65.71 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.914 1.234 . . . . 0.0 112.363 166.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -45.3 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 119.101 0.864 . . . . 0.0 111.424 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -30.85 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.865 0.757 . . . . 0.0 112.67 175.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.43 -53.34 44.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.489 1.916 . . . . 0.0 110.825 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -28.75 69.85 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.912 -1.117 . . . . 0.0 113.199 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 ttt -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.097 -1.002 . . . . 0.0 112.188 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -25.36 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 123.237 0.615 . . . . 0.0 112.151 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.49 -48.77 76.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.478 1.111 . . . . 0.0 111.044 164.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.86 -41.64 84.26 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.679 0.657 . . . . 0.0 112.626 175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.74 74.71 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -63.12 -47.72 81.6 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.979 0.912 . . . . 0.0 111.655 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.12 98.0 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 123.864 0.745 . . . . 0.0 112.407 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.588 1.194 . . . . 0.0 112.73 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -45.61 92.08 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.97 0.804 . . . . 0.0 112.151 176.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.36 -34.43 77.29 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.706 1.139 . . . . 0.0 112.746 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -69.03 -40.55 78.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.657 1.183 . . . . 0.0 112.71 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -65.77 -36.9 84.85 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.966 0.803 . . . . 0.0 111.77 167.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.85 -40.3 92.35 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.271 0.941 . . . . 0.0 112.524 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -56.71 -39.17 73.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.649 1.179 . . . . 0.0 112.924 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -74.75 -30.88 61.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.325 1.05 . . . . 0.0 113.112 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -100.31 31.47 3.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.891 1.676 . . . . 0.0 111.553 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.07 78.78 4.06 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.262 -1.524 . . . . 0.0 110.568 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.41 176.5 7.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.465 1.106 . . . . 0.0 112.529 -174.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.07 -34.59 66.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.462 1.105 . . . . 0.0 113.898 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -60.76 -27.09 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.927 -1.108 . . . . 0.0 113.613 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tp -70.96 -21.36 62.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.575 1.15 . . . . 0.0 112.324 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.07 -25.48 68.13 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.044 0.838 . . . . 0.0 112.655 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.98 -46.42 6.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.185 0.994 . . . . 0.0 111.625 171.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.42 -19.85 16.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -34.38 1.91 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.976 1.31 . . . . 0.0 113.467 171.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.34 -30.39 39.12 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -120.38 -38.5 2.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.635 1.174 . . . . 0.0 113.682 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.23 -48.3 68.25 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.682 1.583 . . . . 0.0 112.699 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.23 76.53 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.55 -0.719 . . . . 0.0 110.817 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.36 -26.63 65.68 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 169.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -47.08 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.756 1.162 . . . . 0.0 111.303 167.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.26 -40.49 96.1 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.602 1.547 . . . . 0.0 112.111 173.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 t -52.77 -44.93 66.88 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.549 0.739 . . . . 0.0 111.558 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -60.13 -40.6 90.36 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 115.969 -1.967 . . . . 0.0 113.388 167.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.96 -53.5 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 123.104 2.683 . . . . 0.0 111.636 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -43.02 98.3 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.834 1.652 . . . . 0.0 111.329 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -32.38 73.88 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.107 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -38.13 68.23 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.7 2.0 . . . . 0.0 112.05 173.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -63.69 -47.16 82.3 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 120.719 1.599 . . . . 0.0 110.943 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.55 -58.98 6.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 110.9 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -11.22 60.68 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 119.172 -2.205 . . . . 0.0 114.772 177.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.53 -70.24 0.38 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.68 1.582 . . . . 0.0 108.506 160.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.7 m -88.18 -33.96 17.99 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.196 1.362 . . . . 0.0 114.669 -166.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.19 87.07 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.927 1.694 . . . . 0.0 111.703 166.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -75.6 -38.32 59.13 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.159 -1.588 . . . . 0.0 111.395 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -56.73 -37.34 70.84 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.402 -1.285 . . . . 0.0 110.597 165.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.23 -49.92 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 120.67 1.577 . . . . 0.0 112.422 170.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mppt? -79.23 -10.05 59.72 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -96.04 -13.28 23.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.082 1.753 . . . . 0.0 113.956 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 8.4 mt -53.81 137.13 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.262 1.425 . . . . 0.0 111.352 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -90.86 152.95 20.55 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 124.822 1.249 . . . . 0.0 113.246 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.7 p -88.46 155.46 19.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.105 1.762 . . . . 0.0 110.997 165.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 124.922 1.289 . . . . 0.0 112.089 -174.162 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.84 104.08 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 128.297 2.639 . . . . 0.0 114.124 -173.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.08 108.58 2.38 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.661 1.184 . . . . 0.0 110.828 171.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -152.27 155.06 36.95 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.668 1.187 . . . . 0.0 112.319 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -66.44 147.5 53.21 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.289 0.566 . . . . 0.0 110.414 168.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -146.98 153.54 40.18 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.426 1.09 . . . . 0.0 111.126 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -155.24 162.34 40.93 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.102 1.361 . . . . 0.0 110.86 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -145.54 161.39 39.88 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.269 1.428 . . . . 0.0 110.924 170.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -153.32 126.31 8.42 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.175 1.79 . . . . 0.0 109.101 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.92 86.46 0.71 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.764 0.826 . . . . 0.0 111.013 173.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -139.42 146.43 40.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.5 1.12 . . . . 0.0 111.307 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.02 157.43 41.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.835 1.654 . . . . 0.0 110.07 -178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.96 178.57 9.79 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.109 1.363 . . . . 0.0 111.553 178.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -55.93 -62.08 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.24 1.416 . . . . 0.0 112.909 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.88 107.34 19.36 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 174.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.36 -24.77 63.66 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 119.037 -0.506 . . . . 0.0 112.228 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.13 -48.2 45.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.86 2.064 . . . . 0.0 115.745 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -66.67 -42.47 86.49 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -56.04 -36.59 68.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.814 0.846 . . . . 0.0 112.842 166.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.88 69.13 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.648 -1.283 . . . . 0.0 112.366 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -72.37 -36.02 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 120.723 1.601 . . . . 0.0 110.711 171.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -63.49 -62.87 1.39 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.183 -1.573 . . . . 0.0 111.093 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -40.47 97.08 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 124.616 1.166 . . . . 0.0 110.51 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.78 56.19 Favored Glycine 0 N--CA 1.467 0.703 0 CA-C-N 120.826 1.648 . . . . 0.0 113.503 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.21 -38.88 89.02 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.586 1.193 . . . . 0.0 112.187 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -65.25 -42.29 93.45 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.219 0.918 . . . . 0.0 112.783 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -81.09 -19.42 43.69 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 124.856 1.262 . . . . 0.0 112.226 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.66 -42.2 98.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.449 1.477 . . . . 0.0 111.523 166.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.96 -36.03 82.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.467 0.707 . . . . 0.0 111.372 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.149 0.98 . . . . 0.0 112.626 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -26.73 68.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.979 1.712 . . . . 0.0 111.752 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.9 -24.85 39.87 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.454 1.102 . . . . 0.0 113.458 169.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -80.89 -25.32 37.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.858 -1.151 . . . . 0.0 112.589 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.54 -32.57 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.811 -1.181 . . . . 0.0 110.938 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.14 -38.74 71.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.225 0.61 . . . . 0.0 111.585 170.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.53 -42.96 64.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.172 0.989 . . . . 0.0 112.043 174.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -61.25 -36.48 80.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.096 1.317 . . . . 0.0 112.451 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -36.17 64.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.787 1.635 . . . . 0.0 112.171 172.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -29.87 34.19 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.54 1.518 . . . . 0.0 112.808 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.75 -27.87 62.28 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.471 1.108 . . . . 0.0 113.901 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -87.58 -45.47 10.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.573 1.149 . . . . 0.0 112.425 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 11.46 13.64 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.451 1.101 . . . . 0.0 113.447 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.9 t -45.92 101.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.603 1.961 . . . . 0.0 113.459 -174.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -155.99 -72.74 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.883 1.273 . . . . 0.0 112.26 -171.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -146.64 -51.6 0.22 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.265 1.826 . . . . 0.0 113.09 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 53' ' ' GLU . 4.3 mm? -60.01 -10.27 4.01 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 16.93 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 C-N-CA 130.591 3.556 . . . . 0.0 116.659 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 51' ' ' LEU . 19.9 tt0 -159.03 -13.49 0.06 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 129.369 3.068 . . . . 0.0 112.021 -176.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -114.81 -46.76 2.92 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.185 1.794 . . . . 0.0 111.377 -171.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 tp -71.26 -27.0 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.37 -0.831 . . . . 0.0 111.74 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 tt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.487 0.715 . . . . 0.0 110.74 166.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -80.98 -35.28 32.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.124 0.97 . . . . 0.0 112.518 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.85 -47.57 65.63 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.32 0.963 . . . . 0.0 112.489 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -38.76 85.71 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.557 -0.714 . . . . 0.0 110.211 174.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -60.21 -36.03 76.75 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.696 1.134 . . . . 0.0 112.409 169.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -48.56 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.196 0.907 . . . . 0.0 110.92 174.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -74.76 -31.59 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.102 0.864 . . . . 0.0 111.782 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.12 -51.83 66.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.02 1.728 . . . . 0.0 111.399 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.92 78.64 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.774 -1.204 . . . . 0.0 112.736 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttp -67.7 -43.23 80.6 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.487 -0.758 . . . . 0.0 112.089 174.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -29.87 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.911 0.885 . . . . 0.0 112.197 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.91 -47.28 68.09 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.722 1.146 . . . . 0.0 111.188 165.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.08 -39.85 98.16 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.515 -0.74 . . . . 0.0 112.976 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.56 88.03 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.33 1.065 . . . . 0.0 113.228 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -65.52 -47.9 74.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.848 0.859 . . . . 0.0 110.891 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.4 59.78 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.939 1.257 . . . . 0.0 112.633 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.2 73.78 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 118.584 1.192 . . . . 0.0 113.157 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -48.37 79.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.964 0.802 . . . . 0.0 112.157 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -35.59 80.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.068 173.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -60.06 -47.39 86.08 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.212 1.823 . . . . 0.0 113.789 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.62 -41.53 86.1 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.058 0.543 . . . . 0.0 111.704 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.18 -35.91 66.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.297 1.039 . . . . 0.0 113.404 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -63.42 -30.42 71.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 119.971 -1.706 . . . . 0.0 112.581 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.46 -14.26 56.09 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.844 1.658 . . . . 0.0 113.83 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.9 p -129.16 36.84 4.12 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.587 2.355 . . . . 0.0 111.397 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -75.16 76.91 2.31 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.902 1.681 . . . . 0.0 111.946 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 -165.21 0.98 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.353 1.061 . . . . 0.0 111.047 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -73.6 -34.43 65.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.321 1.048 . . . . 0.0 112.972 -177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.81 -26.82 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.865 0.866 . . . . 0.0 112.985 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -30.35 70.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.437 1.095 . . . . 0.0 112.256 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -67.24 -33.19 74.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.065 0.848 . . . . 0.0 112.275 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -84.16 -40.22 18.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.663 1.185 . . . . 0.0 111.86 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -30.69 71.76 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.596 0.758 . . . . 0.0 112.225 173.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -48.01 -31.37 5.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.441 1.496 . . . . 0.0 113.35 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -52.1 -27.96 15.94 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -120.54 -33.52 3.82 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.066 1.346 . . . . 0.0 111.738 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -51.31 17.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.246 1.418 . . . . 0.0 112.005 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.74 98.24 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.972 -1.08 . . . . 0.0 110.315 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -66.27 -27.51 68.0 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.257 -0.902 . . . . 0.0 112.693 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -47.59 85.33 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.125 0.875 . . . . 0.0 111.013 167.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.63 -38.88 92.52 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.547 1.067 . . . . 0.0 111.706 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.6 t -52.61 -43.0 65.08 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 120.092 1.314 . . . . 0.0 111.885 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -65.8 -32.59 74.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.033 -1.461 . . . . 0.0 113.184 171.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.3 mm -54.93 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 121.071 1.76 . . . . 0.0 110.798 172.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -38.52 79.66 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.394 2.361 . . . . 0.0 112.942 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.73 -41.99 82.58 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.8 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -63.83 -40.55 96.86 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 126.256 1.823 . . . . 0.0 111.738 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.42 -42.1 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.957 2.162 . . . . 0.0 111.827 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -56.45 9.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.52 1.128 . . . . 0.0 110.209 168.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -69.14 2.12 3.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.992 -1.692 . . . . 0.0 114.991 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.26 -70.45 0.71 Allowed 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 128.526 2.731 . . . . 0.0 107.079 165.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.5 m -80.26 -38.68 30.43 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.286 1.403 . . . . 0.0 113.451 -170.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.51 78.25 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.161 -1.587 . . . . 0.0 111.003 173.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -74.22 -42.52 59.63 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.866 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -54.29 -39.32 66.83 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 116.679 -1.629 . . . . 0.0 110.406 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.47 -53.79 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.442 1.473 . . . . 0.0 112.312 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -21.62 63.19 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 174.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.39 -13.81 57.88 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.835 1.654 . . . . 0.0 113.848 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.3 mt -52.56 129.62 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.921 1.288 . . . . 0.0 110.661 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -83.07 160.07 22.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.595 1.188 . . . . 0.0 113.23 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.3 p -106.91 146.45 30.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.253 1.821 . . . . 0.0 110.234 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.39 0 C-N-CA 124.957 1.303 . . . . 0.0 112.127 -171.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.6 -170.51 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 127.087 2.155 . . . . 0.0 114.631 -170.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -153.16 170.39 20.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.024 1.73 . . . . 0.0 110.996 172.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -128.35 48.78 2.25 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.312 1.845 . . . . 0.0 111.873 -172.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -135.66 102.03 4.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.321 1.848 . . . . 0.0 111.275 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -138.34 -77.94 0.36 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.279 1.431 . . . . 0.0 110.453 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -162.39 166.73 24.73 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.823 2.049 . . . . 0.0 109.902 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -155.88 144.73 20.44 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.397 1.079 . . . . 0.0 111.067 167.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -146.85 153.0 39.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.006 1.722 . . . . 0.0 111.261 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -157.59 151.42 24.19 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.553 1.541 . . . . 0.0 111.143 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -151.24 151.4 31.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.115 1.366 . . . . 0.0 111.053 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -160.36 -46.58 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.044 1.338 . . . . 0.0 113.151 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.37 155.69 28.1 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 118.471 0.578 . . . . 0.0 112.339 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mp -80.55 53.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 126.586 1.954 . . . . 0.0 111.452 -170.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -164.93 50.44 0.11 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.161 1.384 . . . . 0.0 111.548 -168.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.48 -30.26 12.35 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.278 -1.514 . . . . 0.0 113.173 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.65 63.17 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.924 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.58 -38.93 77.56 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.475 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -37.03 71.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 120.611 1.55 . . . . 0.0 112.858 171.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.29 -51.1 56.82 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.9 -34.68 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 119.99 1.268 . . . . 0.0 111.46 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.91 -59.81 3.77 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 120.737 -1.227 . . . . 0.0 109.684 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.73 -31.16 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 117.1 -1.428 . . . . 0.0 111.071 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.51 -52.1 22.96 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.911 1.687 . . . . 0.0 113.764 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.74 -34.22 77.69 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.844 -1.386 . . . . 0.0 112.936 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -72.27 -37.23 69.09 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.237 -1.539 . . . . 0.0 112.936 168.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.97 -24.31 66.76 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.745 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 121.956 2.162 . . . . 0.0 111.762 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.7 -43.02 76.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 112.163 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -70.56 -29.96 66.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.579 1.152 . . . . 0.0 113.378 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -76.77 -30.52 56.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.015 2.126 . . . . 0.0 111.759 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.76 -24.92 64.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 113.308 164.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -82.1 -28.17 32.46 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.711 1.142 . . . . 0.0 112.465 169.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -64.29 -27.4 69.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.924 -1.11 . . . . 0.0 112.636 173.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.83 -59.89 3.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.08 0.552 . . . . 0.0 110.326 165.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.93 -31.55 69.96 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -51.05 69.73 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.841 1.656 . . . . 0.0 112.101 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -32.03 32.19 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.137 -0.352 . . . . 0.0 111.692 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -57.24 -29.35 63.71 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 119.753 -1.842 . . . . 0.0 111.773 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.67 -17.75 62.22 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.93 -42.49 8.27 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.49 1.116 . . . . 0.0 111.825 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 13.42 8.96 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.364 1.466 . . . . 0.0 113.658 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 p -50.89 94.03 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.37 2.668 . . . . 0.0 112.8 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -138.73 -69.22 0.43 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.793 1.637 . . . . 0.0 111.174 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -148.95 -53.49 0.17 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.182 1.793 . . . . 0.0 111.848 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.03 -2.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -29.82 41.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.931 1.692 . . . . 0.0 113.37 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -111.29 7.98 21.26 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -119.93 -47.31 2.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.397 1.879 . . . . 0.0 111.321 -171.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.86 -27.11 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.592 0.757 . . . . 0.0 111.74 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tt -54.51 -43.92 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.641 1.176 . . . . 0.0 110.545 163.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -76.21 -37.23 58.04 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.865 0.757 . . . . 0.0 112.323 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -66.89 -47.1 72.86 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.25 0.932 . . . . 0.0 112.493 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.9 tp -68.34 -38.33 81.4 Favored 'General case' 0 C--O 1.221 -0.436 0 O-C-N 121.922 -0.486 . . . . 0.0 111.222 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.54 -36.27 78.02 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.16 -0.963 . . . . 0.0 112.836 167.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -58.66 -46.32 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 119.343 0.974 . . . . 0.0 110.869 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.18 -25.26 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.909 0.777 . . . . 0.0 112.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -37.47 63.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.029 1.286 . . . . 0.0 113.244 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.04 -29.2 57.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.75 0.82 . . . . 0.0 112.348 171.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.9 ttt -73.41 -40.39 64.31 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.098 -1.001 . . . . 0.0 111.976 172.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tp -69.25 -31.1 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.51 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.57 -45.13 66.32 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.827 1.649 . . . . 0.0 111.862 165.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.9 -38.25 88.03 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 120.885 -1.134 . . . . 0.0 113.332 176.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.65 56.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.009 1.324 . . . . 0.0 113.073 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.19 -44.73 95.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.246 -0.909 . . . . 0.0 111.23 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.51 -45.49 89.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.3 1.905 . . . . 0.0 112.625 171.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.76 97.94 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.488 1.644 . . . . 0.0 112.931 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -45.23 81.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 112.768 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.82 -35.84 75.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.975 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -42.69 99.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.155 1.343 . . . . 0.0 113.169 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -64.39 -42.13 96.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.862 0.465 . . . . 0.0 111.345 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -36.5 84.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.252 1.021 . . . . 0.0 112.486 169.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -32.73 74.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.19 -1.569 . . . . 0.0 113.054 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -61.1 -19.06 61.02 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.626 1.17 . . . . 0.0 114.018 167.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -126.89 20.48 7.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.14 2.176 . . . . 0.0 113.351 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.33 72.53 0.08 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 127.593 2.357 . . . . 0.0 111.736 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.44 -173.75 2.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.725 1.61 . . . . 0.0 111.23 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -63.98 -31.9 73.25 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -58.14 -22.95 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -26.91 68.39 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.72 1.608 . . . . 0.0 113.414 175.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.17 -34.44 63.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.907 0.883 . . . . 0.0 112.347 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.48 -46.25 33.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.554 0.742 . . . . 0.0 110.428 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -29.28 69.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.228 1.011 . . . . 0.0 113.217 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.21 -28.11 7.03 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.734 1.614 . . . . 0.0 113.217 176.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -48.33 -32.86 8.02 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 171.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.48 -35.89 3.31 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.004 2.121 . . . . 0.0 113.251 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.0 -36.5 69.77 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.353 -1.467 . . . . 0.0 112.752 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.29 71.45 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 120.492 -1.38 . . . . 0.0 111.764 171.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -80.29 -36.83 33.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.339 1.056 . . . . 0.0 112.151 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -40.69 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.7 -36.6 76.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.536 169.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.1 p -62.4 -33.68 75.24 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 122.641 2.473 . . . . 0.0 112.932 170.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.89 -31.69 72.0 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 116.23 -1.843 . . . . 0.0 112.403 164.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mt -63.63 -46.1 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 123.197 2.726 . . . . 0.0 113.008 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.08 92.16 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 121.019 1.736 . . . . 0.0 111.635 176.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.8 tp -63.51 -37.77 88.58 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.25 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.51 -46.18 84.08 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -39.3 94.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 120.997 1.726 . . . . 0.0 112.242 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.51 -62.18 2.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.523 1.529 . . . . 0.0 110.05 166.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -70.46 -0.21 7.93 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.421 -2.049 . . . . 0.0 115.212 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.71 -67.56 0.82 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.397 2.279 . . . . 0.0 107.554 162.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.9 m -92.16 -31.75 15.36 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -167.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -42.33 98.04 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.73 1.605 . . . . 0.0 110.696 165.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -80.53 -38.29 29.98 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.344 -0.848 . . . . 0.0 110.513 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -56.62 -35.71 68.62 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 116.287 -1.816 . . . . 0.0 111.138 163.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.74 -50.96 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 121.11 1.777 . . . . 0.0 111.747 172.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -76.45 -13.03 60.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.32 -10.6 37.72 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.404 1.881 . . . . 0.0 113.866 173.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 mt -51.94 132.98 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.713 1.605 . . . . 0.0 110.107 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -98.59 148.63 23.6 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 122.3 1.048 . . . . 0.0 111.463 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.2 p -90.69 146.37 24.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.71 1.604 . . . . 0.0 111.42 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.847 1.659 . . . . 0.0 112.692 -170.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 119.793 -0.146 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -152.63 159.54 43.21 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.718 2.407 . . . . 0.0 111.186 172.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.01 146.84 27.23 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.67 1.588 . . . . 0.0 110.581 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.13 175.32 11.85 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 125.936 1.694 . . . . 0.0 110.777 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -104.01 135.56 45.3 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.257 1.023 . . . . 0.0 109.878 170.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -66.33 145.17 56.02 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.276 -0.89 . . . . 0.0 109.915 167.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -136.0 166.65 22.85 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.337 1.455 . . . . 0.0 109.622 173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -148.4 -179.69 7.14 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.131 0.972 . . . . 0.0 110.004 169.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -135.26 -52.38 0.77 Allowed 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 123.803 0.841 . . . . 0.0 110.897 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.0 t0 54.74 147.28 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.481 1.913 . . . . 0.0 112.723 -163.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 168.49 126.65 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.019 2.128 . . . . 0.0 111.187 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -162.04 74.27 0.43 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.685 1.194 . . . . 0.0 111.386 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mt 48.11 63.29 2.1 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.105 1.762 . . . . 0.0 114.603 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 tp -145.59 50.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 124.311 1.044 . . . . 0.0 112.661 -172.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.57 89.09 0.05 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.406 1.482 . . . . 0.0 111.761 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -52.49 -25.89 11.46 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.146 -1.596 . . . . 0.0 113.212 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -60.29 4.06 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 167.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.37 -43.45 98.8 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.358 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.28 -33.48 74.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.224 0.92 . . . . 0.0 112.728 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.78 12.61 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.478 172.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.61 -36.57 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 120.041 1.291 . . . . 0.0 111.779 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.15 -55.7 29.28 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 119.62 -1.925 . . . . 0.0 111.316 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -50.12 68.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.227 175.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.74 -50.37 68.31 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 125.6 1.572 . . . . 0.0 114.378 -175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.54 -36.34 78.2 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.676 1.238 . . . . 0.0 111.812 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -72.8 -34.15 66.7 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.654 -0.654 . . . . 0.0 111.792 171.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -22.53 66.6 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 116.436 -1.745 . . . . 0.0 111.753 170.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.23 -21.94 65.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.878 2.126 . . . . 0.0 112.674 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -25.11 17.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 169.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -40.89 34.35 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 111.971 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.67 -21.72 29.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.045 1.338 . . . . 0.0 113.671 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -59.17 -26.18 64.57 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.269 1.028 . . . . 0.0 111.394 173.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -69.31 -38.58 78.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.114 0.966 . . . . 0.0 113.011 168.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -66.06 -30.94 71.56 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.718 -1.239 . . . . 0.0 112.577 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.51 -46.59 83.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.802 0.728 . . . . 0.0 111.011 168.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.9 -41.2 95.8 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.451 1.023 . . . . 0.0 112.983 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -40.83 81.26 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.046 -1.034 . . . . 0.0 111.913 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.5 -35.88 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.064 1.345 . . . . 0.0 111.442 172.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -31.43 60.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.028 1.74 . . . . 0.0 112.045 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.7 -22.48 62.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.83 1.252 . . . . 0.0 113.43 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.65 -50.09 6.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.502 1.121 . . . . 0.0 111.72 173.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 13.72 2.84 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.698 1.199 . . . . 0.0 113.933 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.64 91.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.546 1.938 . . . . 0.0 113.194 -171.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -141.27 -65.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.251 1.42 . . . . 0.0 112.401 -170.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -143.99 -54.52 0.36 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.477 1.511 . . . . 0.0 111.059 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.38 11.18 2.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.11 -23.84 1.4 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.781 2.033 . . . . 0.0 115.662 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.05 8.08 7.32 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.39 1.076 . . . . 0.0 113.03 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -114.0 -41.58 3.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.7 tp -73.93 -29.45 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 119.735 1.152 . . . . 0.0 110.776 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.6 tt -51.61 -49.08 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.823 0.849 . . . . 0.0 109.95 164.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -69.99 -39.68 75.78 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.805 0.842 . . . . 0.0 113.091 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.33 -52.31 64.18 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.108 1.322 . . . . 0.0 111.76 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -69.74 -35.3 74.85 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.469 -0.769 . . . . 0.0 112.105 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.3 -40.27 85.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.879 0.872 . . . . 0.0 112.91 166.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 t -61.14 -43.78 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -33.48 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.288 1.404 . . . . 0.0 112.768 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.26 79.57 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.756 1.162 . . . . 0.0 111.788 176.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.73 69.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.43 -1.419 . . . . 0.0 112.088 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.3 tpt -63.52 -45.98 88.13 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.404 0.681 . . . . 0.0 111.39 169.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -28.79 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 121.631 -0.668 . . . . 0.0 112.176 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -26.99 62.29 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.495 1.118 . . . . 0.0 112.352 170.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.11 -23.15 78.26 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 120.946 -1.096 . . . . 0.0 114.53 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.864 1.332 . . . . 0.0 112.261 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -24.54 66.08 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.341 -0.849 . . . . 0.0 112.476 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.7 67.2 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.088 0.852 . . . . 0.0 113.321 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.56 -33.56 58.51 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.109 0.955 . . . . 0.0 112.03 166.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -36.63 76.67 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.004 0.922 . . . . 0.0 112.282 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -27.75 64.72 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.392 -1.442 . . . . 0.0 113.325 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -42.64 68.49 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.081 1.752 . . . . 0.0 112.527 174.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.47 -35.67 80.04 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.845 -0.598 . . . . 0.0 111.018 170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -31.29 64.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -73.79 -30.04 62.52 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.07 0.948 . . . . 0.0 112.893 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -80.83 -30.41 35.76 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.246 1.418 . . . . 0.0 112.28 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.2 p -129.62 74.75 1.61 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.307 2.243 . . . . 0.0 109.828 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.45 168.09 0.42 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.073 0.949 . . . . 0.0 112.113 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.59 49.28 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.897 1.679 . . . . 0.0 114.38 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -120.4 -59.59 1.76 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.604 1.961 . . . . 0.0 111.339 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.33 -32.62 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.645 -0.66 . . . . 0.0 111.321 168.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -21.63 66.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.309 0.643 . . . . 0.0 112.173 -178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.8 -44.81 86.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.473 1.109 . . . . 0.0 113.038 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -35.58 28.06 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.354 0.524 . . . . 0.0 111.96 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -18.44 64.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.79 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.52 -31.4 1.1 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.363 1.438 . . . . 0.0 113.171 170.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -51.73 -25.4 7.36 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -131.16 -30.83 1.71 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.289 1.436 . . . . 0.0 112.354 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.29 -43.3 61.23 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.211 1.404 . . . . 0.0 112.242 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.88 73.54 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 120.587 -1.32 . . . . 0.0 110.989 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -74.85 -39.7 61.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.416 1.087 . . . . 0.0 112.119 175.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -41.46 75.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.586 1.085 . . . . 0.0 111.628 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.37 -34.14 70.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.34 -0.85 . . . . 0.0 111.513 171.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -61.09 -28.18 68.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.878 1.672 . . . . 0.0 112.297 168.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.54 -31.64 69.96 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.635 -1.65 . . . . 0.0 112.777 165.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.71 -46.51 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.313 2.324 . . . . 0.0 112.239 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -41.21 85.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.42 1.918 . . . . 0.0 111.75 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.56 -37.16 84.36 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.774 -0.579 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -62.83 -43.94 97.47 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-O 116.6 -1.667 . . . . 0.0 111.692 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.3 77.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 122.801 2.546 . . . . 0.0 112.473 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.65 -60.73 2.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.332 0.653 . . . . 0.0 111.207 166.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -66.59 -4.71 9.24 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 119.466 -2.021 . . . . 0.0 114.246 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.594 1.958 . . . . 0.0 108.075 165.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.5 m -91.68 -42.31 10.24 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -170.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.04 81.33 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 121.132 1.787 . . . . 0.0 111.74 167.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.64 -46.04 55.97 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.138 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -55.06 -34.83 63.9 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.962 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -53.0 -50.97 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 120.671 1.578 . . . . 0.0 111.206 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -75.8 -16.15 60.14 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.789 -1.194 . . . . 0.0 113.351 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.99 -19.76 33.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.788 1.635 . . . . 0.0 114.0 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.7 mt -51.36 129.34 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 110.277 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -91.35 154.87 18.91 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 122.101 0.953 . . . . 0.0 113.386 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.5 p -92.98 138.46 31.46 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 125.236 1.414 . . . . 0.0 110.796 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 . . . . . 0 C--O 1.255 1.344 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -170.229 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -156.83 -80.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.597 1.559 . . . . 0.0 110.145 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -160.07 135.42 8.14 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 128.27 2.628 . . . . 0.0 109.357 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -173.95 157.93 3.06 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 126.083 1.753 . . . . 0.0 109.769 172.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -62.03 160.05 13.25 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.954 0.883 . . . . 0.0 111.618 165.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -126.15 161.49 27.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.089 1.356 . . . . 0.0 110.617 172.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -134.3 158.34 44.02 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.404 1.482 . . . . 0.0 110.436 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -147.04 154.74 41.55 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.328 1.051 . . . . 0.0 110.785 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -158.76 155.81 28.65 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.812 1.645 . . . . 0.0 109.789 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -159.04 175.6 13.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.988 1.715 . . . . 0.0 110.745 175.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.04 175.01 11.02 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.559 1.144 . . . . 0.0 109.481 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -134.01 177.35 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.658 1.583 . . . . 0.0 110.23 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.98 172.19 6.98 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.387 1.475 . . . . 0.0 111.057 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mm 73.13 112.94 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 128.334 2.654 . . . . 0.0 111.152 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 56.78 62.93 2.09 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.854 0.862 . . . . 0.0 112.593 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -27.74 10.36 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.628 -1.295 . . . . 0.0 113.212 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.51 -55.7 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.833 0.742 . . . . 0.0 112.677 170.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.16 -38.5 88.23 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.256 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -61.13 -34.37 74.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.598 1.09 . . . . 0.0 113.465 171.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.82 68.19 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.253 0.933 . . . . 0.0 112.219 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.31 -40.4 77.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-N 119.602 1.092 . . . . 0.0 110.681 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.04 -59.46 5.05 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 121.468 1.94 . . . . 0.0 111.696 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -62.25 -43.27 99.2 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.686 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.86 -56.94 21.98 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 119.991 1.269 . . . . 0.0 113.335 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.63 -35.44 77.9 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.786 1.634 . . . . 0.0 112.607 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -70.84 -44.04 67.28 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.065 -1.022 . . . . 0.0 111.606 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.47 -26.9 68.93 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-O 117.364 -1.303 . . . . 0.0 112.051 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.9 -32.12 73.53 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 121.824 2.102 . . . . 0.0 112.456 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.92 95.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.51 0.724 . . . . 0.0 110.882 165.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.63 -33.46 66.65 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.254 1.021 . . . . 0.0 113.21 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -25.06 68.21 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.751 2.42 . . . . 0.0 110.634 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.73 -21.49 41.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.986 0.914 . . . . 0.0 113.418 167.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -78.39 -27.35 46.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.603 -1.311 . . . . 0.0 111.762 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -67.33 -27.8 67.44 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.863 0.865 . . . . 0.0 111.845 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.09 -57.28 12.81 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.29 -0.862 . . . . 0.0 108.822 165.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -39.81 77.54 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -44.51 93.7 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.212 -0.93 . . . . 0.0 112.894 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.41 -39.71 27.81 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.457 1.103 . . . . 0.0 109.976 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.62 -26.89 67.36 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.282 1.033 . . . . 0.0 112.108 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.48 -23.05 66.2 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 166.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -95.17 -43.59 8.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.357 1.063 . . . . 0.0 112.054 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 11.21 13.68 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.884 1.273 . . . . 0.0 113.703 175.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -44.18 86.26 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 129.257 3.023 . . . . 0.0 115.348 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -127.35 -59.76 1.22 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.12 1.368 . . . . 0.0 112.427 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.32 -53.04 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.916 1.287 . . . . 0.0 111.74 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mp -66.62 -0.28 2.76 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -51.2 -28.43 11.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.093 1.757 . . . . 0.0 114.186 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -120.36 12.69 11.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.548 1.139 . . . . 0.0 112.262 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -119.69 -49.98 2.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.932 1.693 . . . . 0.0 111.605 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.78 -25.11 25.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.72 -0.612 . . . . 0.0 111.875 174.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.29 -44.05 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.289 0.95 . . . . 0.0 110.703 163.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mmm-85 -81.54 -38.98 25.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.346 1.058 . . . . 0.0 112.609 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.08 -46.48 70.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.196 0.998 . . . . 0.0 112.03 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -42.1 76.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.517 174.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.0 -38.69 70.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.627 1.558 . . . . 0.0 112.739 170.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -46.58 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.28 -0.887 . . . . 0.0 110.832 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.28 -28.44 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.664 0.665 . . . . 0.0 112.659 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.49 -45.32 72.65 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.112 1.765 . . . . 0.0 111.163 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.71 69.43 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.268 1.027 . . . . 0.0 112.674 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.3 ttt -71.17 -43.35 67.66 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.112 -0.993 . . . . 0.0 112.226 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 tp -68.4 -38.45 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.594 172.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.77 -47.53 50.93 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 111.469 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.25 -36.4 68.77 Favored Glycine 0 CA--C 1.54 1.597 0 O-C-N 120.293 -1.504 . . . . 0.0 114.223 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.41 64.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.405 1.082 . . . . 0.0 113.395 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -61.61 -44.18 97.48 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.257 -0.902 . . . . 0.0 111.518 168.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.29 -47.19 50.91 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.41 1.005 . . . . 0.0 111.642 168.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.64 99.67 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.868 1.334 . . . . 0.0 113.856 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -50.15 71.48 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.253 0.933 . . . . 0.0 112.162 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -68.01 -32.15 72.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.63 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.29 95.16 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.662 1.185 . . . . 0.0 113.192 173.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.72 -42.2 86.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.455 0.57 . . . . 0.0 110.544 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.56 -37.91 88.01 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.323 169.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.33 1.38 0.52 Allowed 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 121.308 1.867 . . . . 0.0 115.26 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -110.57 -5.28 15.12 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.553 1.541 . . . . 0.0 112.647 168.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -139.03 35.28 2.13 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.792 2.437 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -105.95 104.56 14.29 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 110.14 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -123.13 -159.29 0.83 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.12 1.368 . . . . 0.0 109.563 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -76.7 -26.0 54.22 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.995 -1.066 . . . . 0.0 112.529 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -54.21 -24.29 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 171.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -32.95 66.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.886 1.221 . . . . 0.0 112.687 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.35 -29.23 70.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.514 0.726 . . . . 0.0 112.55 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -93.26 -42.93 9.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.963 1.305 . . . . 0.0 111.68 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.82 -25.95 67.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.888 1.275 . . . . 0.0 112.315 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -46.9 -29.65 2.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -50.93 -27.92 8.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.05 -32.98 2.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.472 1.909 . . . . 0.0 112.738 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.35 -39.79 71.09 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.434 -1.416 . . . . 0.0 113.235 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.93 -33.69 75.87 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 119.138 0.881 . . . . 0.0 110.42 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -73.99 -41.54 61.77 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.37 1.068 . . . . 0.0 112.673 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -42.9 86.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.668 1.122 . . . . 0.0 111.672 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.85 -32.52 69.56 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.71 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -56.59 -42.65 79.05 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 121.963 2.165 . . . . 0.0 111.699 170.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -59.17 -29.75 67.68 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 116.897 -1.525 . . . . 0.0 112.883 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.49 -52.37 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 121.487 1.949 . . . . 0.0 111.086 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -38.92 72.21 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.347 1.43 . . . . 0.0 111.618 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.74 -37.98 64.92 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 116.773 -1.584 . . . . 0.0 112.09 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -56.8 -43.98 81.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.264 1.826 . . . . 0.0 111.009 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -71.35 -37.15 71.69 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.182 0.593 . . . . 0.0 111.303 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 mp -65.17 -60.18 3.29 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.622 0.769 . . . . 0.0 111.103 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -6.37 6.76 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 118.186 -2.821 . . . . 0.0 115.17 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.18 -69.93 0.5 Allowed 'General case' 0 C--O 1.22 -0.462 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 156.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.3 m -81.72 -42.59 19.63 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.233 1.379 . . . . 0.0 114.608 -168.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -46.18 88.79 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.623 1.569 . . . . 0.0 111.691 170.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.02 -39.66 55.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.051 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -54.93 -38.46 67.7 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 116.583 -1.675 . . . . 0.0 110.446 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.74 -52.33 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 120.484 1.493 . . . . 0.0 111.93 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -14.59 61.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -91.02 -9.36 46.2 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.549 1.939 . . . . 0.0 114.108 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.0 mt -52.87 137.26 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 110.485 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -100.39 146.4 27.04 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.372 1.069 . . . . 0.0 112.135 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 p -85.48 123.02 30.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.984 1.314 . . . . 0.0 111.168 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.38 1.872 . . . . 0.0 115.553 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 119.093 -0.48 . . . . 0.0 109.76 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.95 139.22 2.87 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.479 1.512 . . . . 0.0 110.858 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -158.79 143.06 15.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.289 1.436 . . . . 0.0 111.517 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -163.53 173.63 12.83 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.226 1.81 . . . . 0.0 110.774 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -149.97 -176.67 5.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.58 1.552 . . . . 0.0 111.79 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -51.06 143.35 10.68 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.898 0.879 . . . . 0.0 111.902 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -97.21 165.46 12.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.073 0.949 . . . . 0.0 112.537 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.72 159.37 32.37 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.436 1.095 . . . . 0.0 112.41 171.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -83.8 160.48 21.2 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.42 1.088 . . . . 0.0 112.699 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -142.78 164.6 29.66 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.914 2.086 . . . . 0.0 110.463 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.53 96.45 0.07 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.431 1.892 . . . . 0.0 112.545 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mp -107.0 156.83 18.31 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.026 1.33 . . . . 0.0 112.084 -173.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.77 177.6 5.38 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.024 0.929 . . . . 0.0 113.091 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.7 tt -58.73 -30.54 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.181 1.393 . . . . 0.0 114.31 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.91 94.29 6.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.681 1.192 . . . . 0.0 109.067 170.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.58 -29.05 64.15 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.517 -0.74 . . . . 0.0 111.532 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.94 -56.66 13.6 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.986 1.315 . . . . 0.0 113.463 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -68.75 -39.81 80.12 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.01 -32.34 70.79 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.244 0.929 . . . . 0.0 112.654 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.51 59.91 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.939 0.79 . . . . 0.0 112.515 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.93 -36.18 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 120.11 1.323 . . . . 0.0 111.007 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.85 -48.74 65.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 119.883 -1.761 . . . . 0.0 111.6 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.16 -33.66 38.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 117.359 -1.305 . . . . 0.0 112.776 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.16 51.03 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 119.941 1.246 . . . . 0.0 112.828 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.13 -39.8 90.15 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.04 1.336 . . . . 0.0 111.576 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.02 -46.64 88.28 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 0.0 111.804 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.63 -18.0 63.56 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.168 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.36 -39.53 89.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.712 1.596 . . . . 0.0 110.532 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.85 -41.27 97.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.218 1.007 . . . . 0.0 112.635 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -66.88 -30.55 70.74 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.829 1.195 . . . . 0.0 113.031 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -27.4 69.17 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.343 1.057 . . . . 0.0 112.038 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -55.72 -20.31 14.02 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.554 1.142 . . . . 0.0 113.733 168.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -83.65 -25.79 30.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.935 -1.103 . . . . 0.0 113.016 171.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -68.0 -27.0 66.18 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.745 -1.222 . . . . 0.0 112.0 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.09 -38.91 68.71 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.381 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -42.12 79.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.73 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -35.25 69.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.273 1.029 . . . . 0.0 112.543 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -35.9 25.21 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.631 1.972 . . . . 0.0 111.611 175.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.82 61.45 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.83 1.195 . . . . 0.0 112.539 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.74 -22.34 65.23 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.245 1.418 . . . . 0.0 114.676 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.06 -42.99 8.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.878 1.271 . . . . 0.0 111.684 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.81 19.47 6.51 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.472 1.509 . . . . 0.0 113.938 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 p -57.14 80.11 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 128.551 2.74 . . . . 0.0 114.593 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -131.57 -68.66 0.64 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.477 1.511 . . . . 0.0 111.996 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -145.83 -54.66 0.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.444 . . . . 0.0 111.089 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.54 6.06 2.64 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -52.46 -27.54 16.53 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.182 1.393 . . . . 0.0 113.785 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -116.83 12.03 14.65 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.889 1.275 . . . . 0.0 112.727 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -120.96 -47.52 2.28 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.112 1.765 . . . . 0.0 112.452 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.6 tp -73.29 -27.42 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 121.326 -0.859 . . . . 0.0 111.21 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -53.34 -39.84 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.63 0.772 . . . . 0.0 111.381 163.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -77.48 -39.26 47.13 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.415 1.086 . . . . 0.0 112.124 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.31 -45.18 66.77 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.567 1.076 . . . . 0.0 113.367 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -39.75 91.76 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.796 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -57.63 -43.55 84.92 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.22 1.373 . . . . 0.0 112.192 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.92 -46.25 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.859 -1.151 . . . . 0.0 112.063 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -30.51 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.629 0.65 . . . . 0.0 112.512 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.2 t -64.29 -52.1 60.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.985 2.114 . . . . 0.0 111.567 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.98 74.75 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 112.495 174.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ttt -67.82 -47.36 69.27 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.154 -0.966 . . . . 0.0 112.005 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -33.35 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 121.616 -0.677 . . . . 0.0 111.76 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.64 -53.72 53.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.233 1.413 . . . . 0.0 110.51 168.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.51 -36.63 71.38 Favored Glycine 0 CA--C 1.54 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 113.398 173.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.53 86.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.252 1.026 . . . . 0.0 113.209 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.82 -38.01 89.53 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.598 1.09 . . . . 0.0 111.256 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.41 -40.57 54.11 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.434 1.492 . . . . 0.0 113.833 169.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.27 72.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.9 1.35 . . . . 0.0 112.729 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -48.89 76.22 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.994 0.918 . . . . 0.0 112.144 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.41 -33.22 75.45 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.293 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -65.93 -45.51 81.59 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.002 1.274 . . . . 0.0 112.807 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.73 -38.59 85.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.199 0.454 . . . . 0.0 111.924 171.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -35.31 74.55 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.81 -23.23 67.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.56 1.544 . . . . 0.0 113.738 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -79.19 -5.46 54.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.132 1.373 . . . . 0.0 113.976 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.8 t -129.78 34.74 4.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.808 1.643 . . . . 0.0 111.665 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 63.43 0.3 Allowed 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.574 1.55 . . . . 0.0 112.803 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 -179.29 3.9 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.014 1.325 . . . . 0.0 112.131 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.7 -33.45 71.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.397 1.479 . . . . 0.0 113.681 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.97 -25.11 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.056 -1.028 . . . . 0.0 113.618 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.2 -24.43 64.94 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.794 0.837 . . . . 0.0 112.255 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.83 -33.99 62.26 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.199 1.363 . . . . 0.0 112.028 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -50.43 32.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.345 1.058 . . . . 0.0 111.149 169.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.72 -22.21 64.35 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.746 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -50.91 -28.22 9.21 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.842 1.656 . . . . 0.0 112.892 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.12 -36.24 18.41 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.972 0.806 . . . . 0.0 112.998 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.42 -39.8 3.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.636 1.174 . . . . 0.0 112.306 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.47 -43.95 88.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.802 1.183 . . . . 0.0 113.538 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.34 80.44 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 120.012 1.278 . . . . 0.0 111.536 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -73.58 -28.33 61.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.623 0.769 . . . . 0.0 112.183 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.21 -47.09 84.0 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.583 -1.323 . . . . 0.0 110.396 167.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.57 -40.04 95.95 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.662 171.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -59.15 -33.49 70.97 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.101 1.773 . . . . 0.0 112.966 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -28.55 67.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 117.153 -1.403 . . . . 0.0 112.614 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.4 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 121.477 1.944 . . . . 0.0 111.948 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -37.87 88.92 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 121.389 1.904 . . . . 0.0 112.019 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.94 -42.16 66.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.305 0.642 . . . . 0.0 109.767 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -53.71 -46.83 70.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.501 1.92 . . . . 0.0 112.059 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -61.59 -39.73 92.26 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.184 1.356 . . . . 0.0 112.099 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.12 -64.25 0.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.981 0.912 . . . . 0.0 111.098 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 1.2 4.01 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 121.056 1.753 . . . . 0.0 115.417 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -81.87 -70.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.774 1.229 . . . . 0.0 108.156 157.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 47.2 m -85.3 -32.54 22.46 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -165.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -39.58 72.7 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.091 -1.631 . . . . 0.0 112.074 168.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -41.96 63.05 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.329 -0.857 . . . . 0.0 109.814 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -54.38 -38.85 66.62 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.122 -1.418 . . . . 0.0 111.375 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.15 -49.92 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 120.796 1.634 . . . . 0.0 112.146 170.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -76.28 -13.89 60.14 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -93.2 -14.49 27.04 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.386 1.875 . . . . 0.0 113.646 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 mt -52.73 141.16 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.628 1.171 . . . . 0.0 110.59 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -111.85 158.75 19.05 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.384 1.088 . . . . 0.0 112.649 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 p -95.66 128.85 42.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.896 1.678 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.444 1.897 . . . . 0.0 115.131 -164.134 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.94 123.96 15.39 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.489 1.116 . . . . 0.0 111.663 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -165.69 103.23 0.69 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.692 1.197 . . . . 0.0 110.716 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.01 159.9 18.43 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.844 1.257 . . . . 0.0 111.94 174.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -80.21 145.75 32.09 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.523 1.129 . . . . 0.0 111.603 167.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -152.55 158.58 42.71 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.196 1.798 . . . . 0.0 111.51 170.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -153.74 137.94 16.54 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.964 1.706 . . . . 0.0 110.117 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.28 104.5 0.17 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.425 1.89 . . . . 0.0 109.949 176.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -159.52 -175.24 5.07 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.932 1.693 . . . . 0.0 110.326 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 59.55 82.05 0.16 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.265 1.826 . . . . 0.0 114.167 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -145.29 122.9 11.78 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.48 -0.763 . . . . 0.0 111.9 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.61 175.23 12.12 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.476 1.51 . . . . 0.0 112.261 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.55 -179.4 4.01 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.167 1.787 . . . . 0.0 112.041 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mp 70.21 128.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 128.098 2.559 . . . . 0.0 111.07 -175.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 44.33 47.05 7.93 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.871 0.869 . . . . 0.0 112.43 -173.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -26.69 36.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.862 -1.149 . . . . 0.0 112.064 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.43 -57.33 13.2 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.305 1.042 . . . . 0.0 112.619 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -62.95 -45.09 94.12 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.384 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -60.73 -32.45 71.72 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.7 -53.65 55.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.863 1.21 . . . . 0.0 111.497 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.61 -38.67 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.631 1.105 . . . . 0.0 111.894 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -42.97 98.96 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 119.325 -2.109 . . . . 0.0 112.186 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -83.88 -39.45 19.86 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.07 173.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.98 11.76 Favored Glycine 0 N--CA 1.469 0.884 0 C-N-CA 124.556 1.074 . . . . 0.0 113.046 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.99 -32.23 67.69 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.684 1.194 . . . . 0.0 112.954 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -70.58 -47.61 59.39 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.238 0.926 . . . . 0.0 112.624 170.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -71.57 -13.7 61.86 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.682 1.193 . . . . 0.0 113.456 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mp -67.67 -30.78 70.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.328 1.451 . . . . 0.0 111.979 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.05 -34.39 76.37 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.752 -0.593 . . . . 0.0 112.253 163.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -40.23 94.51 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.341 -0.85 . . . . 0.0 111.029 170.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -29.34 59.39 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.17 1.388 . . . . 0.0 112.356 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -56.82 -20.2 21.35 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 120.403 -1.436 . . . . 0.0 114.323 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -83.57 -29.03 28.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.909 1.683 . . . . 0.0 112.82 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -58.09 -32.6 68.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.072 0.851 . . . . 0.0 110.435 169.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.7 -41.19 90.22 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 119.351 0.978 . . . . 0.0 111.544 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -40.7 68.04 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.386 1.074 . . . . 0.0 113.016 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.58 -35.65 80.19 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.686 -1.259 . . . . 0.0 111.956 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -32.09 45.0 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.365 1.466 . . . . 0.0 112.522 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.59 54.02 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.285 1.857 . . . . 0.0 112.344 176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.47 -18.0 64.31 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.483 1.513 . . . . 0.0 114.771 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -38.41 8.66 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.197 1.399 . . . . 0.0 112.11 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 18.72 10.74 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.506 1.523 . . . . 0.0 113.442 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 p -54.77 87.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 128.281 2.632 . . . . 0.0 114.434 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -138.79 -72.3 0.4 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.585 1.554 . . . . 0.0 111.637 -171.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -149.71 -56.35 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.191 1.396 . . . . 0.0 110.855 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.96 0.99 1.56 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.34 -33.14 28.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.951 1.7 . . . . 0.0 115.067 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.73 8.08 20.54 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.347 1.059 . . . . 0.0 112.87 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -118.87 -44.85 2.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.983 1.713 . . . . 0.0 112.117 -171.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.4 tp -70.85 -30.21 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.642 0.777 . . . . 0.0 110.936 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 tt -50.81 -41.93 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.461 165.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.07 -39.94 54.31 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.257 1.023 . . . . 0.0 113.393 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.06 -49.06 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.881 1.219 . . . . 0.0 112.914 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -34.37 72.19 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.559 -0.713 . . . . 0.0 111.652 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.12 -39.52 86.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.634 1.106 . . . . 0.0 111.875 166.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -45.73 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.374 0.988 . . . . 0.0 110.312 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -33.76 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 118.812 0.733 . . . . 0.0 112.821 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.05 -44.42 80.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.213 1.405 . . . . 0.0 111.864 175.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.91 -35.35 74.51 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.64 1.176 . . . . 0.0 112.534 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -48.63 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.851 0.86 . . . . 0.0 111.525 173.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -38.41 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.845 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -52.09 -40.9 61.92 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.401 1.08 . . . . 0.0 112.336 167.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.51 98.49 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.205 -1.559 . . . . 0.0 113.826 171.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.68 58.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.487 1.115 . . . . 0.0 113.939 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -60.75 -43.89 97.4 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.222 -0.924 . . . . 0.0 111.242 168.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.05 -37.66 54.41 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.793 1.187 . . . . 0.0 113.533 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.93 -43.63 64.97 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.941 1.371 . . . . 0.0 113.066 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -47.51 82.43 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.262 0.625 . . . . 0.0 112.165 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.21 -34.76 76.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.117 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -57.13 -47.25 81.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.884 1.22 . . . . 0.0 112.254 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.89 -40.95 97.71 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.399 0.28 . . . . 0.0 111.405 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -37.04 83.41 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -27.24 68.04 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.758 1.223 . . . . 0.0 112.887 175.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -75.77 -20.42 58.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.752 1.621 . . . . 0.0 113.18 171.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.9 p -122.83 39.77 3.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.99 2.116 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.83 85.78 4.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.975 1.71 . . . . 0.0 111.56 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.4 -171.23 2.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.714 1.605 . . . . 0.0 111.18 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -72.71 -25.2 61.14 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.399 -1.438 . . . . 0.0 113.65 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.55 -28.38 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 172.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -30.23 68.76 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.621 1.168 . . . . 0.0 111.631 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.86 -30.9 68.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.571 1.078 . . . . 0.0 113.005 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -42.86 14.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.88 1.272 . . . . 0.0 110.816 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -21.81 64.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 117.261 -1.352 . . . . 0.0 112.111 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -33.84 3.45 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.2 1.8 . . . . 0.0 112.422 177.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -47.9 -27.24 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -129.77 -30.14 2.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.384 1.873 . . . . 0.0 112.481 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -74.25 -42.23 60.0 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.479 -1.388 . . . . 0.0 112.764 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.21 73.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.889 0.768 . . . . 0.0 110.999 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.91 -38.15 38.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.925 1.29 . . . . 0.0 112.682 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -42.45 82.83 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.55 -1.344 . . . . 0.0 110.867 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.27 -32.17 64.5 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.33 -1.319 . . . . 0.0 112.8 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 p -57.92 -42.88 85.73 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 122.384 2.357 . . . . 0.0 111.007 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -56.85 -33.16 66.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 116.574 -1.679 . . . . 0.0 113.428 169.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mm -59.29 -57.22 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 121.56 1.982 . . . . 0.0 110.801 173.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -40.58 87.52 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.429 1.468 . . . . 0.0 112.662 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.45 -41.74 93.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 111.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -63.45 -44.11 95.44 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 125.863 1.665 . . . . 0.0 110.969 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -63.64 -36.62 84.43 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 121.219 1.827 . . . . 0.0 111.776 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.03 -58.21 6.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.657 0.783 . . . . 0.0 111.086 165.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -65.04 -3.41 3.57 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 119.458 -2.026 . . . . 0.0 114.67 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.94 -73.59 0.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.735 2.014 . . . . 0.0 106.995 163.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 14.0 m -77.69 -36.68 50.89 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.959 1.254 . . . . 0.0 113.645 -168.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.98 -41.31 78.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.348 1.459 . . . . 0.0 111.036 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -79.87 -39.08 31.33 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.468 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -54.49 -39.38 67.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 116.243 -1.837 . . . . 0.0 110.584 163.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.65 -51.79 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 120.98 1.718 . . . . 0.0 111.978 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -66.46 -28.47 68.62 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.043 -1.036 . . . . 0.0 113.229 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.56 -7.74 59.63 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.473 1.909 . . . . 0.0 114.599 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.1 mt -54.81 134.13 18.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 124.114 0.965 . . . . 0.0 109.827 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -91.44 152.1 20.52 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 122.555 1.169 . . . . 0.0 112.031 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.3 p -85.85 149.8 24.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.002 1.321 . . . . 0.0 110.894 168.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.72 -1.609 . . . . 0.0 113.219 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 35.36 74.6 0.07 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 128.056 2.542 . . . . 0.0 115.558 -175.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -143.28 174.9 10.31 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.547 1.539 . . . . 0.0 111.512 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 57.76 171.61 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.921 2.088 . . . . 0.0 114.584 -165.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -70.95 149.6 46.52 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.971 -1.081 . . . . 0.0 110.983 164.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.71 114.9 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.364 -0.835 . . . . 0.0 109.716 165.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -59.25 168.96 1.26 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.419 1.087 . . . . 0.0 111.681 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -133.55 164.8 26.37 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.875 0.87 . . . . 0.0 111.526 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -116.79 104.69 11.59 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.862 1.265 . . . . 0.0 109.526 -172.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.55 156.92 21.75 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.089 0.956 . . . . 0.0 111.695 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -91.24 152.6 20.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 122.305 1.05 . . . . 0.0 112.476 171.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.11 176.03 9.81 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 128.157 2.583 . . . . 0.0 108.896 -175.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.57 176.95 0.16 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.912 1.285 . . . . 0.0 111.877 -167.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mt 48.86 80.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 126.794 2.038 . . . . 0.0 113.191 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 44.88 84.81 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.866 1.667 . . . . 0.0 113.834 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -45.52 -35.77 4.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -53.83 52.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.134 0.879 . . . . 0.0 113.282 174.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.4 -46.84 68.89 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 123.625 0.77 . . . . 0.0 109.839 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -57.29 -36.23 70.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.106 0.866 . . . . 0.0 113.079 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.23 90.79 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.762 1.165 . . . . 0.0 112.894 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.9 -30.63 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.219 1.827 . . . . 0.0 112.715 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.12 -52.39 59.38 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.82 -1.175 . . . . 0.0 110.679 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -76.38 -34.45 58.89 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.888 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.0 -47.51 73.31 Favored Glycine 0 N--CA 1.466 0.663 0 CA-C-N 119.839 1.2 . . . . 0.0 113.328 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.93 -30.74 67.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.315 1.558 . . . . 0.0 112.921 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -76.64 -35.92 57.72 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.159 -0.963 . . . . 0.0 112.309 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.07 -15.06 52.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.799 1.24 . . . . 0.0 112.75 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.84 -46.45 89.22 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 121.118 1.781 . . . . 0.0 110.225 166.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.83 -49.73 75.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.688 0.795 . . . . 0.0 110.75 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -59.05 -33.81 71.2 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.451 -0.78 . . . . 0.0 112.677 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.2 -25.99 49.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.934 2.094 . . . . 0.0 112.505 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.26 -30.45 68.29 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.37 1.068 . . . . 0.0 112.546 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -74.12 -24.49 59.46 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.946 -1.096 . . . . 0.0 112.68 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -18.94 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.298 1.439 . . . . 0.0 112.674 172.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.61 -31.89 69.03 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.131 -0.98 . . . . 0.0 110.847 164.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.03 -42.97 56.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.287 1.035 . . . . 0.0 112.705 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -61.85 -30.57 70.94 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.976 -1.078 . . . . 0.0 112.46 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -36.19 58.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.435 1.894 . . . . 0.0 111.673 172.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -23.64 25.42 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.889 1.222 . . . . 0.0 113.156 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -72.4 -30.93 65.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.941 1.296 . . . . 0.0 114.176 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -83.01 -50.82 8.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.149 1.38 . . . . 0.0 111.937 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.61 17.38 3.31 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 179.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -55.12 88.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.404 2.282 . . . . 0.0 113.739 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -137.49 -71.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.639 1.576 . . . . 0.0 112.168 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -147.98 -54.17 0.2 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.242 1.417 . . . . 0.0 112.037 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.99 -0.92 2.61 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -52.32 -24.62 7.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.803 2.041 . . . . 0.0 115.295 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.51 10.91 13.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.031 1.332 . . . . 0.0 112.851 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.34 -47.73 1.99 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.361 1.864 . . . . 0.0 112.039 -172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.74 -25.39 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.583 -0.698 . . . . 0.0 111.8 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.7 tt -51.89 -42.05 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.11 0.564 . . . . 0.0 110.609 163.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -74.72 -36.53 62.69 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.387 1.075 . . . . 0.0 112.355 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.14 -50.35 64.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.801 0.84 . . . . 0.0 112.379 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mt -70.27 -32.9 70.92 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.503 -0.748 . . . . 0.0 111.881 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.62 -39.31 80.11 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.535 1.061 . . . . 0.0 112.119 165.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -59.9 -46.76 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.416 1.007 . . . . 0.0 111.264 174.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -34.77 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.12 0.873 . . . . 0.0 112.493 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.46 -55.22 36.1 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.111 1.765 . . . . 0.0 111.557 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.66 76.15 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.231 1.012 . . . . 0.0 112.403 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.9 ttt -67.63 -44.77 77.2 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 112.21 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tt -76.98 -26.74 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.175 0.898 . . . . 0.0 112.476 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.77 -57.02 14.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.333 1.453 . . . . 0.0 110.474 165.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.08 96.63 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.528 -0.732 . . . . 0.0 113.304 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.1 95.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.896 0.878 . . . . 0.0 112.686 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.93 -37.48 81.7 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.143 -0.973 . . . . 0.0 111.999 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.74 55.44 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.01 0.814 . . . . 0.0 112.368 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.38 85.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 118.038 0.919 . . . . 0.0 112.936 171.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -47.6 79.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.056 0.844 . . . . 0.0 112.85 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.72 -37.21 84.23 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.454 -0.779 . . . . 0.0 112.462 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.58 -36.68 83.23 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 112.86 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -66.64 -35.1 79.37 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.395 -0.815 . . . . 0.0 111.295 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -37.96 84.43 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -58.99 -34.2 71.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.719 1.145 . . . . 0.0 112.794 172.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -75.41 -15.95 60.4 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.684 1.593 . . . . 0.0 113.919 173.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -124.8 33.27 5.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.128 1.771 . . . . 0.0 111.735 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.58 93.93 7.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.409 1.484 . . . . 0.0 109.434 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -131.53 -176.83 4.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.007 1.323 . . . . 0.0 111.38 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.44 -34.06 64.13 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.717 0.807 . . . . 0.0 112.432 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -60.55 -24.13 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -29.15 69.93 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 120.236 1.38 . . . . 0.0 111.503 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -67.86 -31.36 71.13 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.688 1.131 . . . . 0.0 112.785 174.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.17 -44.38 12.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.971 0.908 . . . . 0.0 111.575 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -23.21 64.82 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.6 1.16 . . . . 0.0 112.035 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -49.42 -28.77 5.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.387 1.449 . . . . 0.0 113.452 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -47.17 -33.09 4.89 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 169.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.74 -37.73 2.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.575 1.55 . . . . 0.0 113.118 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.83 -49.13 78.7 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.832 -1.168 . . . . 0.0 112.301 170.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.92 79.29 Favored 'General case' 0 C--N 1.342 0.265 0 O-C-N 120.68 -1.263 . . . . 0.0 112.261 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -71.42 -29.53 65.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.265 0.626 . . . . 0.0 112.07 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -48.84 76.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.345 0.975 . . . . 0.0 111.029 167.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.83 -38.53 91.44 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.36 1.437 . . . . 0.0 111.579 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -54.12 -46.6 72.2 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.625 1.102 . . . . 0.0 111.739 170.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -62.34 -33.25 74.35 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 116.184 -1.865 . . . . 0.0 112.698 170.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.79 -50.84 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.691 2.496 . . . . 0.0 112.013 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -40.47 95.53 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 121.083 1.765 . . . . 0.0 111.83 176.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.17 -36.37 83.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.613 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.41 -36.75 63.48 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.703 1.601 . . . . 0.0 112.223 171.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -59.26 -41.7 89.44 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 121.725 2.057 . . . . 0.0 110.797 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.97 -60.16 2.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.151 0.98 . . . . 0.0 111.519 167.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -68.44 -4.5 15.05 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 121.332 1.878 . . . . 0.0 115.367 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.46 -85.21 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.727 1.611 . . . . 0.0 107.265 156.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -69.06 -32.01 71.19 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -164.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.49 -40.75 66.66 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 121.108 1.776 . . . . 0.0 112.654 172.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -80.03 -41.6 25.45 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -55.2 -36.06 65.53 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.984 -1.484 . . . . 0.0 111.567 161.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -53.75 -52.23 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 120.999 1.727 . . . . 0.0 111.344 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -72.35 -16.36 61.87 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -86.31 -14.08 44.68 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.502 1.521 . . . . 0.0 114.014 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 8.3 mt -51.3 129.75 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.805 1.242 . . . . 0.0 110.936 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.56 158.45 32.48 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.47 1.129 . . . . 0.0 113.099 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 p -99.18 144.48 28.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.927 1.291 . . . . 0.0 110.282 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.149 1.779 . . . . 0.0 113.483 -168.492 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -29.94 66.34 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.795 1.634 . . . . 0.0 113.406 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -49.97 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.709 1.14 . . . . 0.0 112.696 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.93 -43.48 87.97 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.927 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -57.67 -39.09 76.31 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.0 1.273 . . . . 0.0 111.539 170.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.18 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 119.114 0.87 . . . . 0.0 112.722 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.9 pt -66.43 -41.18 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.001 1.273 . . . . 0.0 111.377 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.89 -53.99 50.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.222 0.919 . . . . 0.0 111.135 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -62.65 -50.94 69.22 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 117.77 -1.11 . . . . 0.0 110.443 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.16 83.8 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.93 1.241 . . . . 0.0 113.25 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.07 -41.25 70.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.027 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -63.05 -40.72 98.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 120.361 -1.462 . . . . 0.0 112.279 172.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -26.03 57.2 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.732 176.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.99 -44.54 94.45 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.586 1.994 . . . . 0.0 111.593 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.72 -32.13 71.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.061 0.944 . . . . 0.0 112.483 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -38.37 47.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.709 0.803 . . . . 0.0 111.957 173.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.54 -26.96 68.94 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.206 1.802 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -55.96 -24.06 36.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.016 0.926 . . . . 0.0 113.484 166.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -79.59 -29.97 41.4 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.845 -1.16 . . . . 0.0 112.342 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.37 -29.38 70.45 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.861 -1.149 . . . . 0.0 111.66 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.72 -40.55 75.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.033 166.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.82 -39.19 69.97 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.917 0.887 . . . . 0.0 111.431 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -48.18 75.38 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.502 -0.749 . . . . 0.0 110.967 172.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -33.25 68.13 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.757 1.223 . . . . 0.0 112.291 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.68 66.87 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.855 1.661 . . . . 0.0 112.458 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.31 -18.36 64.49 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.099 0.959 . . . . 0.0 113.39 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -93.85 -48.16 6.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.095 1.758 . . . . 0.0 111.494 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -83.52 12.14 6.07 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.443 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.23 79.32 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 128.15 2.58 . . . . 0.0 114.531 -171.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -133.65 -51.36 0.85 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.495 1.518 . . . . 0.0 113.391 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -150.25 -71.98 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.294 1.037 . . . . 0.0 111.512 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -69.09 19.23 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.13 -32.86 56.36 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.537 1.935 . . . . 0.0 114.362 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -111.03 4.2 19.29 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.65 1.18 . . . . 0.0 112.222 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -104.12 -51.25 3.17 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.606 1.562 . . . . 0.0 111.111 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tp -69.2 -30.38 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.006 0.922 . . . . 0.0 113.102 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 tt -53.07 -42.06 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.066 0.946 . . . . 0.0 111.796 164.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -80.78 -31.99 35.6 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 125.469 1.508 . . . . 0.0 112.884 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.98 -43.68 70.98 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.801 1.182 . . . . 0.0 111.949 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.07 -31.56 61.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.799 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.26 -39.59 79.62 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.125 0.875 . . . . 0.0 112.394 160.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.24 -47.45 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.64 1.109 . . . . 0.0 111.689 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -74.3 -34.32 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.931 0.787 . . . . 0.0 112.021 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.93 -55.07 38.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.62 1.168 . . . . 0.0 112.108 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.6 71.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.018 0.927 . . . . 0.0 112.784 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.8 ttt -69.49 -43.13 73.76 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.312 -0.867 . . . . 0.0 112.325 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -32.23 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.733 0.813 . . . . 0.0 112.29 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.75 -39.42 73.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.656 1.583 . . . . 0.0 111.138 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.33 -27.84 68.34 Favored Glycine 0 CA--C 1.536 1.378 0 O-C-N 121.094 -1.004 . . . . 0.0 114.536 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.85 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.789 1.294 . . . . 0.0 112.574 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -66.08 -34.71 78.69 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.491 -0.755 . . . . 0.0 111.522 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.12 -36.46 61.57 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.357 0.98 . . . . 0.0 113.638 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.36 -36.96 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 117.813 0.807 . . . . 0.0 112.234 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.45 72.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.056 0.942 . . . . 0.0 111.632 173.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.93 -33.07 72.59 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.528 -1.358 . . . . 0.0 113.113 174.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.49 -36.08 63.26 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.664 -0.647 . . . . 0.0 112.052 171.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -61.04 -34.6 75.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.366 0.53 . . . . 0.0 111.833 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.9 55.02 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -78.56 -27.69 45.86 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.604 1.162 . . . . 0.0 112.698 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -79.66 -32.48 41.54 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.104 1.361 . . . . 0.0 112.11 167.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -123.58 69.53 1.04 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.067 1.747 . . . . 0.0 110.565 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.05 169.55 2.63 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.339 -0.85 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.74 61.02 0.96 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.502 1.521 . . . . 0.0 111.748 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -128.02 -64.49 0.96 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.908 2.083 . . . . 0.0 109.982 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.47 -32.72 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 121.456 -0.777 . . . . 0.0 111.702 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.7 -27.24 67.73 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.34 0.656 . . . . 0.0 111.773 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.27 -27.66 66.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.636 0.774 . . . . 0.0 112.886 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -105.46 -39.55 6.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.365 1.066 . . . . 0.0 111.489 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -21.67 38.44 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.154 0.981 . . . . 0.0 112.247 172.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -33.83 0.84 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.213 1.405 . . . . 0.0 114.432 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -52.64 -23.92 7.47 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.12 -33.12 1.98 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.222 1.409 . . . . 0.0 111.646 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.8 -43.27 59.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.2 1.0 . . . . 0.0 111.864 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.31 70.62 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.035 -1.041 . . . . 0.0 111.405 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.79 -43.3 65.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.248 171.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -42.44 82.71 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.708 1.14 . . . . 0.0 111.307 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.78 -34.5 75.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.113 171.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -41.28 78.09 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.869 1.668 . . . . 0.0 111.697 168.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -63.08 -34.05 76.76 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 115.63 -2.128 . . . . 0.0 112.144 168.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.27 -47.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 123.016 2.644 . . . . 0.0 112.034 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -41.5 97.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.518 1.963 . . . . 0.0 112.172 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.2 tp -70.1 -39.49 75.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 19.1 mtpp -59.15 -44.02 92.06 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 127.128 2.171 . . . . 0.0 111.631 170.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -60.33 -39.46 87.15 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.156 1.343 . . . . 0.0 112.068 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -56.6 6.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.208 1.003 . . . . 0.0 111.692 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.452 ' HG3' ' HA ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -70.39 -6.95 39.26 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 119.462 -2.024 . . . . 0.0 114.144 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.52 -74.22 0.26 Allowed 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.4 m -82.14 -36.71 27.17 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -165.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -43.88 76.04 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.994 -1.691 . . . . 0.0 111.498 171.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.56 -38.81 65.1 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.966 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -41.64 71.75 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 116.414 -1.755 . . . . 0.0 110.244 166.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -50.78 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 121.298 1.863 . . . . 0.0 112.444 172.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -73.29 -13.14 61.07 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.02 -8.18 22.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.423 1.889 . . . . 0.0 113.498 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.451 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 15.8 mt -57.02 137.0 19.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 124.646 1.178 . . . . 0.0 110.187 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -104.14 159.13 15.94 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 122.53 1.157 . . . . 0.0 111.645 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.8 p -103.3 146.71 28.05 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 125.665 1.586 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.048 -173.649 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 93' ' ' ALA . 15.8 tt0 -55.5 -25.75 38.83 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.154 -0.966 . . . . 0.0 112.408 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -61.55 -54.37 43.95 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.961 1.255 . . . . 0.0 112.88 168.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -66.24 -46.19 78.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.231 0.612 . . . . 0.0 110.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -32.84 71.79 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.79 -51.39 62.5 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.246 0.93 . . . . 0.0 111.631 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.3 pt -72.06 -35.04 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.958 1.254 . . . . 0.0 111.987 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.02 -61.72 2.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.571 1.078 . . . . 0.0 110.632 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -70.33 -31.68 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 117.353 -1.308 . . . . 0.0 112.613 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.11 -45.19 57.55 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 120.06 1.3 . . . . 0.0 113.567 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.87 -38.11 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.885 1.342 . . . . 0.0 111.311 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -66.4 -40.61 89.72 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.122 -0.986 . . . . 0.0 111.014 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.733 -1.603 . . . . 0.0 113.093 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.16 -41.14 87.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 122.158 2.254 . . . . 0.0 111.406 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -45.89 90.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.901 0.88 . . . . 0.0 111.322 171.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.14 -33.95 76.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.874 0.87 . . . . 0.0 113.045 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -19.68 65.45 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.713 1.605 . . . . 0.0 112.565 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.515 ' HA ' HD23 ' A' ' 40' ' ' LEU . 75.1 mt-30 -55.39 -23.03 22.44 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.605 0.762 . . . . 0.0 113.028 165.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -77.19 -27.07 53.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.312 1.045 . . . . 0.0 112.932 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -27.28 66.48 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.755 -1.215 . . . . 0.0 110.616 175.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 59' ' ' LEU . 3.1 mm? -56.63 -48.7 76.94 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.849 0.75 . . . . 0.0 110.379 168.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -66.31 -43.56 85.9 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.492 0.717 . . . . 0.0 112.497 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.13 -38.11 82.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.478 -0.764 . . . . 0.0 111.961 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -31.93 36.34 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.797 1.239 . . . . 0.0 110.97 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -31.18 52.93 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.709 1.595 . . . . 0.0 112.351 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -65.34 -25.7 67.71 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -42.28 12.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.81 1.244 . . . . 0.0 112.771 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -95.63 21.75 7.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.903 1.281 . . . . 0.0 113.74 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 p -55.98 83.81 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.246 2.218 . . . . 0.0 114.818 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -136.91 -83.09 0.36 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.098 1.759 . . . . 0.0 111.399 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -145.19 -52.78 0.28 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.299 1.44 . . . . 0.0 112.096 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.09 -11.17 1.01 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -57.54 -23.0 47.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.288 1.435 . . . . 0.0 114.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.15 -9.23 13.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.962 1.705 . . . . 0.0 112.398 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -111.38 -43.76 3.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.189 -0.944 . . . . 0.0 112.731 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 tp -71.53 -31.09 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.03 -1.044 . . . . 0.0 111.285 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.455 ' HA ' HD12 ' A' ' 40' ' ' LEU . 12.2 tt -52.21 -37.77 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.489 0.716 . . . . 0.0 111.091 166.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -81.74 -39.63 23.9 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.444 1.097 . . . . 0.0 113.183 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.63 -45.92 64.3 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.232 0.924 . . . . 0.0 112.672 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.647 HD22 HD21 ' A' ' 40' ' ' LEU . 3.8 tt -66.31 -41.91 89.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.984 171.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.35 -34.77 72.79 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.98 1.264 . . . . 0.0 112.478 172.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.36 -45.46 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.864 0.865 . . . . 0.0 110.747 170.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.58 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.997 0.817 . . . . 0.0 112.915 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.0 t -64.04 -49.25 73.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.306 1.843 . . . . 0.0 112.215 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.75 -33.84 74.6 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.007 -1.058 . . . . 0.0 112.569 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 ttt -68.15 -45.12 74.42 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tp -69.43 -30.72 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.139 0.881 . . . . 0.0 111.696 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.24 -32.97 68.84 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.499 1.045 . . . . 0.0 112.952 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.53 -32.71 71.45 Favored Glycine 0 CA--C 1.54 1.644 0 O-C-N 120.871 -1.143 . . . . 0.0 113.539 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.93 74.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.514 -0.992 . . . . 0.0 113.189 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.61 -31.86 73.26 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.168 -0.957 . . . . 0.0 112.806 171.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.18 -24.14 76.79 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.945 1.259 . . . . 0.0 113.754 172.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.8 -34.5 52.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.635 1.218 . . . . 0.0 112.187 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -34.72 73.14 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.294 -0.879 . . . . 0.0 113.038 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -27.38 68.43 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.938 -1.101 . . . . 0.0 112.893 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -69.39 -28.98 66.65 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.317 1.447 . . . . 0.0 112.566 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -80.28 -31.75 38.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.429 0.691 . . . . 0.0 112.355 169.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.61 -24.67 64.0 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 119.392 0.996 . . . . 0.0 112.82 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -63.92 -31.42 72.6 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 168.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -77.23 -27.99 53.55 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.559 1.144 . . . . 0.0 112.187 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.9 p -130.69 68.69 1.47 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.275 1.83 . . . . 0.0 110.607 -175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -53.6 166.43 0.31 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.133 1.373 . . . . 0.0 113.476 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.11 50.58 0.21 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.835 1.654 . . . . 0.0 113.915 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -117.13 -61.45 1.71 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.88 2.072 . . . . 0.0 109.469 -167.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 85' ' ' LEU . 1.9 pp -75.7 -24.14 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.576 0.751 . . . . 0.0 112.493 165.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -60.95 -24.47 66.09 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.424 1.09 . . . . 0.0 112.654 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.84 -34.1 71.18 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.162 0.985 . . . . 0.0 113.449 172.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.17 -45.2 6.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.379 1.472 . . . . 0.0 110.531 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.79 -25.68 60.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.706 176.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 28.9 m-20 -40.96 -32.9 0.26 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.898 1.679 . . . . 0.0 114.679 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -52.59 -26.47 13.52 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 172.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.68 -33.11 2.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.526 1.53 . . . . 0.0 111.922 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.18 -42.03 60.51 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.571 1.548 . . . . 0.0 112.202 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -63.22 -29.85 71.11 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.454 -0.779 . . . . 0.0 111.145 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -82.37 -29.42 30.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.063 1.345 . . . . 0.0 113.324 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.31 -45.25 48.65 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.914 -1.116 . . . . 0.0 109.515 175.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.59 -30.9 69.75 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.322 169.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 p -60.15 -39.75 87.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.459 1.936 . . . . 0.0 112.278 169.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -31.03 69.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 116.12 -1.895 . . . . 0.0 112.459 168.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.4 mm -61.82 -46.91 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 121.873 2.124 . . . . 0.0 112.154 172.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.02 93.16 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 122.14 2.245 . . . . 0.0 112.568 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.07 -40.91 71.32 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.002 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -62.39 -41.42 98.63 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 125.704 1.602 . . . . 0.0 112.023 169.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.32 -43.32 83.23 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.534 1.515 . . . . 0.0 111.207 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.24 -54.82 14.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.655 0.782 . . . . 0.0 112.261 168.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.0 -3.47 10.15 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 119.845 -1.784 . . . . 0.0 114.498 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.1 -69.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 126.773 2.029 . . . . 0.0 107.699 160.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.574 HG23 HD21 ' A' ' 59' ' ' LEU . 1.2 m -76.93 -48.12 19.08 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -59.56 -38.18 80.42 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.165 -1.584 . . . . 0.0 112.21 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -80.07 -42.26 24.02 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.692 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.84 -37.97 60.82 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.907 -1.52 . . . . 0.0 110.729 166.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.88 -51.9 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.946 1.248 . . . . 0.0 112.267 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -73.92 -16.92 61.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -11.09 56.82 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.26 1.824 . . . . 0.0 113.732 171.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.508 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 37.7 mt -54.81 135.07 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.916 1.286 . . . . 0.0 110.259 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -97.96 161.62 13.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.198 1.399 . . . . 0.0 112.09 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.0 p -96.29 152.25 18.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.576 1.951 . . . . 0.0 111.494 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.263 1.425 . . . . 0.0 112.049 -177.593 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.08 -32.18 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 119.614 -1.929 . . . . 0.0 114.167 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.94 76.04 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 170.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -63.06 -50.19 71.58 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.41 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -44.42 15.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.883 1.22 . . . . 0.0 112.008 169.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -52.8 62.17 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.506 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.5 -31.78 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.706 1.139 . . . . 0.0 113.023 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.34 -55.85 7.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.815 1.646 . . . . 0.0 111.393 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.25 -35.1 63.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 117.52 -1.228 . . . . 0.0 110.934 173.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.84 -52.77 50.15 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 118.218 -1.324 . . . . 0.0 113.672 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.65 -33.02 74.69 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.239 2.019 . . . . 0.0 112.802 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -49.19 46.97 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.556 -0.715 . . . . 0.0 111.753 175.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -65.67 -20.04 66.14 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 116.957 -1.496 . . . . 0.0 112.435 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -41.6 75.5 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 121.383 1.901 . . . . 0.0 111.988 174.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.41 -37.96 77.7 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.577 -0.702 . . . . 0.0 112.414 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.71 -25.75 64.93 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.79 -1.194 . . . . 0.0 113.83 172.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 120.303 -1.498 . . . . 0.0 109.813 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.11 -24.87 68.1 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.588 1.555 . . . . 0.0 112.427 165.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -82.78 -27.11 31.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.42 1.088 . . . . 0.0 112.465 170.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -64.05 -26.77 68.7 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.24 -1.538 . . . . 0.0 112.974 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.31 -33.83 54.96 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.719 -0.613 . . . . 0.0 112.014 166.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.43 -41.36 61.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.388 1.075 . . . . 0.0 112.703 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.98 -35.28 78.03 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.602 1.092 . . . . 0.0 111.779 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -42.0 66.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.432 1.493 . . . . 0.0 110.929 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -26.29 33.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.418 1.087 . . . . 0.0 113.013 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.78 -26.26 60.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.977 0.911 . . . . 0.0 113.422 173.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -88.1 -46.3 9.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.923 1.289 . . . . 0.0 112.495 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 20.91 4.72 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.826 1.25 . . . . 0.0 113.597 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -55.88 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.949 2.1 . . . . 0.0 112.778 -174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -146.92 -76.82 0.18 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.901 1.68 . . . . 0.0 112.671 -173.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -145.07 -54.34 0.3 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.302 1.441 . . . . 0.0 111.533 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.79 -7.05 4.28 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -50.9 -27.51 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.119 1.768 . . . . 0.0 114.206 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -114.76 8.37 16.1 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.838 1.255 . . . . 0.0 113.123 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -124.91 -50.09 1.72 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.6 1.56 . . . . 0.0 112.109 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.83 -24.58 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 121.724 -0.61 . . . . 0.0 112.02 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.7 -42.39 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.641 -0.662 . . . . 0.0 111.01 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.73 -41.69 44.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.393 1.077 . . . . 0.0 111.881 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.45 -46.53 88.12 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.853 0.751 . . . . 0.0 112.284 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.1 tp -73.19 -37.69 66.4 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.82 -39.65 65.71 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.914 1.234 . . . . 0.0 112.363 166.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -45.3 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 119.101 0.864 . . . . 0.0 111.424 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -30.85 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.865 0.757 . . . . 0.0 112.67 175.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.43 -53.34 44.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.489 1.916 . . . . 0.0 110.825 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -28.75 69.85 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.912 -1.117 . . . . 0.0 113.199 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 ttt -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.097 -1.002 . . . . 0.0 112.188 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -25.36 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 123.237 0.615 . . . . 0.0 112.151 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.49 -48.77 76.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.478 1.111 . . . . 0.0 111.044 164.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.86 -41.64 84.26 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.679 0.657 . . . . 0.0 112.626 175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.74 74.71 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -63.12 -47.72 81.6 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.979 0.912 . . . . 0.0 111.655 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.12 98.0 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 123.864 0.745 . . . . 0.0 112.407 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.588 1.194 . . . . 0.0 112.73 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -45.61 92.08 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.97 0.804 . . . . 0.0 112.151 176.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.36 -34.43 77.29 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.706 1.139 . . . . 0.0 112.746 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -69.03 -40.55 78.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.657 1.183 . . . . 0.0 112.71 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -65.77 -36.9 84.85 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.966 0.803 . . . . 0.0 111.77 167.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.85 -40.3 92.35 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.271 0.941 . . . . 0.0 112.524 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -56.71 -39.17 73.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.649 1.179 . . . . 0.0 112.924 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -74.75 -30.88 61.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.325 1.05 . . . . 0.0 113.112 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -100.31 31.47 3.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.891 1.676 . . . . 0.0 111.553 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.07 78.78 4.06 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.262 -1.524 . . . . 0.0 110.568 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.41 176.5 7.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.465 1.106 . . . . 0.0 112.529 -174.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.07 -34.59 66.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.462 1.105 . . . . 0.0 113.898 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 85' ' ' LEU . 1.8 pp -60.76 -27.09 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.927 -1.108 . . . . 0.0 113.613 173.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 84' ' ' ILE . 2.8 tp -70.96 -21.36 62.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.575 1.15 . . . . 0.0 112.324 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.07 -25.48 68.13 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.044 0.838 . . . . 0.0 112.655 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.98 -46.42 6.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.185 0.994 . . . . 0.0 111.625 171.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.42 -19.85 16.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -34.38 1.91 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.976 1.31 . . . . 0.0 113.467 171.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.34 -30.39 39.12 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -120.38 -38.5 2.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.635 1.174 . . . . 0.0 113.682 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.23 -48.3 68.25 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.682 1.583 . . . . 0.0 112.699 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.23 76.53 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.55 -0.719 . . . . 0.0 110.817 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.36 -26.63 65.68 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 169.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -47.08 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.756 1.162 . . . . 0.0 111.303 167.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.26 -40.49 96.1 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.602 1.547 . . . . 0.0 112.111 173.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 t -52.77 -44.93 66.88 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.549 0.739 . . . . 0.0 111.558 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -60.13 -40.6 90.36 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 115.969 -1.967 . . . . 0.0 113.388 167.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.96 -53.5 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 123.104 2.683 . . . . 0.0 111.636 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -43.02 98.3 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.834 1.652 . . . . 0.0 111.329 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -32.38 73.88 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.107 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -72.5 -38.13 68.23 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.7 2.0 . . . . 0.0 112.05 173.014 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -63.69 -47.16 82.3 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 120.719 1.599 . . . . 0.0 110.943 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.55 -58.98 6.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 110.9 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.416 ' HG3' ' HA ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -69.72 -11.22 60.68 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 119.172 -2.205 . . . . 0.0 114.772 177.715 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.53 -70.24 0.38 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.68 1.582 . . . . 0.0 108.506 160.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.7 m -88.18 -33.96 17.99 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.196 1.362 . . . . 0.0 114.669 -166.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.19 87.07 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.927 1.694 . . . . 0.0 111.703 166.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -75.6 -38.32 59.13 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.159 -1.588 . . . . 0.0 111.395 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -56.73 -37.34 70.84 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.402 -1.285 . . . . 0.0 110.597 165.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.454 ' HA ' HD12 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -50.23 -49.92 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 120.67 1.577 . . . . 0.0 112.422 170.459 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mppt? -79.23 -10.05 59.72 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -96.04 -13.28 23.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.082 1.753 . . . . 0.0 113.956 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 111' ' ' VAL . 8.4 mt -53.81 137.13 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.262 1.425 . . . . 0.0 111.352 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -90.86 152.95 20.55 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 124.822 1.249 . . . . 0.0 113.246 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.7 p -88.46 155.46 19.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.105 1.762 . . . . 0.0 110.997 165.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 124.922 1.289 . . . . 0.0 112.089 -174.162 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.36 -24.77 63.66 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 119.037 -0.506 . . . . 0.0 112.228 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.13 -48.2 45.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.86 2.064 . . . . 0.0 115.745 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -66.67 -42.47 86.49 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -56.04 -36.59 68.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.814 0.846 . . . . 0.0 112.842 166.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.88 69.13 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.648 -1.283 . . . . 0.0 112.366 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -72.37 -36.02 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 120.723 1.601 . . . . 0.0 110.711 171.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -63.49 -62.87 1.39 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.183 -1.573 . . . . 0.0 111.093 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -40.47 97.08 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 124.616 1.166 . . . . 0.0 110.51 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.78 56.19 Favored Glycine 0 N--CA 1.467 0.703 0 CA-C-N 120.826 1.648 . . . . 0.0 113.503 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.21 -38.88 89.02 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.586 1.193 . . . . 0.0 112.187 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -65.25 -42.29 93.45 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.219 0.918 . . . . 0.0 112.783 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -81.09 -19.42 43.69 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 124.856 1.262 . . . . 0.0 112.226 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.66 -42.2 98.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.449 1.477 . . . . 0.0 111.523 166.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.96 -36.03 82.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.467 0.707 . . . . 0.0 111.372 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.149 0.98 . . . . 0.0 112.626 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.676 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -61.81 -26.73 68.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.979 1.712 . . . . 0.0 111.752 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.9 -24.85 39.87 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.454 1.102 . . . . 0.0 113.458 169.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -80.89 -25.32 37.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.858 -1.151 . . . . 0.0 112.589 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.54 -32.57 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.811 -1.181 . . . . 0.0 110.938 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.14 -38.74 71.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.225 0.61 . . . . 0.0 111.585 170.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.53 -42.96 64.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.172 0.989 . . . . 0.0 112.043 174.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -61.25 -36.48 80.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.096 1.317 . . . . 0.0 112.451 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -36.17 64.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.787 1.635 . . . . 0.0 112.171 172.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -29.87 34.19 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.54 1.518 . . . . 0.0 112.808 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.75 -27.87 62.28 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.471 1.108 . . . . 0.0 113.901 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -87.58 -45.47 10.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.573 1.149 . . . . 0.0 112.425 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HE2' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -87.03 11.46 13.64 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.451 1.101 . . . . 0.0 113.447 174.58 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.9 t -45.92 101.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.603 1.961 . . . . 0.0 113.459 -174.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -155.99 -72.74 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.883 1.273 . . . . 0.0 112.26 -171.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -146.64 -51.6 0.22 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.265 1.826 . . . . 0.0 113.09 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.01 -10.27 4.01 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 16.93 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 C-N-CA 130.591 3.556 . . . . 0.0 116.659 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -159.03 -13.49 0.06 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 129.369 3.068 . . . . 0.0 112.021 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -114.81 -46.76 2.92 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.185 1.794 . . . . 0.0 111.377 -171.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 tp -71.26 -27.0 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.37 -0.831 . . . . 0.0 111.74 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 tt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.487 0.715 . . . . 0.0 110.74 166.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -80.98 -35.28 32.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.124 0.97 . . . . 0.0 112.518 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.85 -47.57 65.63 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.32 0.963 . . . . 0.0 112.489 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -38.76 85.71 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.557 -0.714 . . . . 0.0 110.211 174.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -60.21 -36.03 76.75 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.696 1.134 . . . . 0.0 112.409 169.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -48.56 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.196 0.907 . . . . 0.0 110.92 174.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -74.76 -31.59 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.102 0.864 . . . . 0.0 111.782 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.12 -51.83 66.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.02 1.728 . . . . 0.0 111.399 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.92 78.64 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.774 -1.204 . . . . 0.0 112.736 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttp -67.7 -43.23 80.6 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.487 -0.758 . . . . 0.0 112.089 174.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -29.87 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.911 0.885 . . . . 0.0 112.197 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.91 -47.28 68.09 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.722 1.146 . . . . 0.0 111.188 165.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.08 -39.85 98.16 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.515 -0.74 . . . . 0.0 112.976 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.56 88.03 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.33 1.065 . . . . 0.0 113.228 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -65.52 -47.9 74.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.848 0.859 . . . . 0.0 110.891 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.4 59.78 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.939 1.257 . . . . 0.0 112.633 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.2 73.78 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 118.584 1.192 . . . . 0.0 113.157 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -48.37 79.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.964 0.802 . . . . 0.0 112.157 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -35.59 80.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.068 173.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -60.06 -47.39 86.08 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.212 1.823 . . . . 0.0 113.789 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.62 -41.53 86.1 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.058 0.543 . . . . 0.0 111.704 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.18 -35.91 66.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.297 1.039 . . . . 0.0 113.404 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -63.42 -30.42 71.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 119.971 -1.706 . . . . 0.0 112.581 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.46 -14.26 56.09 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.844 1.658 . . . . 0.0 113.83 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.9 p -129.16 36.84 4.12 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.587 2.355 . . . . 0.0 111.397 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -75.16 76.91 2.31 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.902 1.681 . . . . 0.0 111.946 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 -165.21 0.98 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.353 1.061 . . . . 0.0 111.047 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -73.6 -34.43 65.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.321 1.048 . . . . 0.0 112.972 -177.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.81 -26.82 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.865 0.866 . . . . 0.0 112.985 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -30.35 70.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.437 1.095 . . . . 0.0 112.256 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -67.24 -33.19 74.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.065 0.848 . . . . 0.0 112.275 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -84.16 -40.22 18.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.663 1.185 . . . . 0.0 111.86 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -30.69 71.76 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.596 0.758 . . . . 0.0 112.225 173.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 24.6 m-20 -48.01 -31.37 5.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.441 1.496 . . . . 0.0 113.35 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -52.1 -27.96 15.94 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -120.54 -33.52 3.82 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.066 1.346 . . . . 0.0 111.738 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -51.31 17.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.246 1.418 . . . . 0.0 112.005 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -61.89 -41.74 98.24 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.972 -1.08 . . . . 0.0 110.315 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -66.27 -27.51 68.0 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.257 -0.902 . . . . 0.0 112.693 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -47.59 85.33 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.125 0.875 . . . . 0.0 111.013 167.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.63 -38.88 92.52 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.547 1.067 . . . . 0.0 111.706 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.6 t -52.61 -43.0 65.08 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 120.092 1.314 . . . . 0.0 111.885 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -65.8 -32.59 74.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.033 -1.461 . . . . 0.0 113.184 171.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.3 mm -54.93 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 121.071 1.76 . . . . 0.0 110.798 172.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -38.52 79.66 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.394 2.361 . . . . 0.0 112.942 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.73 -41.99 82.58 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.8 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -63.83 -40.55 96.86 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 126.256 1.823 . . . . 0.0 111.738 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.42 -42.1 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.957 2.162 . . . . 0.0 111.827 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -56.45 9.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.52 1.128 . . . . 0.0 110.209 168.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -69.14 2.12 3.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.992 -1.692 . . . . 0.0 114.991 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.26 -70.45 0.71 Allowed 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 128.526 2.731 . . . . 0.0 107.079 165.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.676 HG22 HD12 ' A' ' 36' ' ' LEU . 30.5 m -80.26 -38.68 30.43 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.286 1.403 . . . . 0.0 113.451 -170.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.51 78.25 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.161 -1.587 . . . . 0.0 111.003 173.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -74.22 -42.52 59.63 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.866 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -54.29 -39.32 66.83 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 116.679 -1.629 . . . . 0.0 110.406 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.47 -53.79 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.442 1.473 . . . . 0.0 112.312 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -21.62 63.19 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 174.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.39 -13.81 57.88 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.835 1.654 . . . . 0.0 113.848 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.452 HG22 ' HE2' ' A' ' 47' ' ' LYS . 29.3 mt -52.56 129.62 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.921 1.288 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -83.07 160.07 22.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.595 1.188 . . . . 0.0 113.23 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.3 p -106.91 146.45 30.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.253 1.821 . . . . 0.0 110.234 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.39 0 C-N-CA 124.957 1.303 . . . . 0.0 112.127 -171.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.48 -30.26 12.35 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.278 -1.514 . . . . 0.0 113.173 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.65 63.17 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.924 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.58 -38.93 77.56 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.475 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -37.03 71.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 120.611 1.55 . . . . 0.0 112.858 171.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.29 -51.1 56.82 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.9 -34.68 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 119.99 1.268 . . . . 0.0 111.46 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.91 -59.81 3.77 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 120.737 -1.227 . . . . 0.0 109.684 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.73 -31.16 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 117.1 -1.428 . . . . 0.0 111.071 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.51 -52.1 22.96 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.911 1.687 . . . . 0.0 113.764 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.74 -34.22 77.69 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.844 -1.386 . . . . 0.0 112.936 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -72.27 -37.23 69.09 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.237 -1.539 . . . . 0.0 112.936 168.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.97 -24.31 66.76 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.745 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 121.956 2.162 . . . . 0.0 111.762 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.7 -43.02 76.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 112.163 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -70.56 -29.96 66.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.579 1.152 . . . . 0.0 113.378 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD23 ' HB ' ' A' ' 107' ' ' THR . 4.7 tp -76.77 -30.52 56.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.015 2.126 . . . . 0.0 111.759 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.76 -24.92 64.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 113.308 164.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -82.1 -28.17 32.46 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.711 1.142 . . . . 0.0 112.465 169.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -64.29 -27.4 69.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.924 -1.11 . . . . 0.0 112.636 173.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 HD23 ' A' ' 59' ' ' LEU . 4.5 mm? -51.83 -59.89 3.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.08 0.552 . . . . 0.0 110.326 165.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.93 -31.55 69.96 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -51.05 69.73 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.841 1.656 . . . . 0.0 112.101 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -32.03 32.19 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.137 -0.352 . . . . 0.0 111.692 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -57.24 -29.35 63.71 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 119.753 -1.842 . . . . 0.0 111.773 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.67 -17.75 62.22 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.93 -42.49 8.27 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.49 1.116 . . . . 0.0 111.825 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 13.42 8.96 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.364 1.466 . . . . 0.0 113.658 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 p -50.89 94.03 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.37 2.668 . . . . 0.0 112.8 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -138.73 -69.22 0.43 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.793 1.637 . . . . 0.0 111.174 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -148.95 -53.49 0.17 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.182 1.793 . . . . 0.0 111.848 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.03 -2.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -29.82 41.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.931 1.692 . . . . 0.0 113.37 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -111.29 7.98 21.26 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -119.93 -47.31 2.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.397 1.879 . . . . 0.0 111.321 -171.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.86 -27.11 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.592 0.757 . . . . 0.0 111.74 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tt -54.51 -43.92 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.641 1.176 . . . . 0.0 110.545 163.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -76.21 -37.23 58.04 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.865 0.757 . . . . 0.0 112.323 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -66.89 -47.1 72.86 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.25 0.932 . . . . 0.0 112.493 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 40' ' ' LEU . 27.9 tp -68.34 -38.33 81.4 Favored 'General case' 0 C--O 1.221 -0.436 0 O-C-N 121.922 -0.486 . . . . 0.0 111.222 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.54 -36.27 78.02 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.16 -0.963 . . . . 0.0 112.836 167.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -58.66 -46.32 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 119.343 0.974 . . . . 0.0 110.869 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.18 -25.26 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.909 0.777 . . . . 0.0 112.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -37.47 63.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.029 1.286 . . . . 0.0 113.244 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.04 -29.2 57.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.75 0.82 . . . . 0.0 112.348 171.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.9 ttt -73.41 -40.39 64.31 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.098 -1.001 . . . . 0.0 111.976 172.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tp -69.25 -31.1 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.51 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.57 -45.13 66.32 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.827 1.649 . . . . 0.0 111.862 165.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.9 -38.25 88.03 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 120.885 -1.134 . . . . 0.0 113.332 176.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.65 56.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.009 1.324 . . . . 0.0 113.073 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.19 -44.73 95.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.246 -0.909 . . . . 0.0 111.23 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.51 -45.49 89.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.3 1.905 . . . . 0.0 112.625 171.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.76 97.94 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.488 1.644 . . . . 0.0 112.931 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -45.23 81.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 112.768 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.82 -35.84 75.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.975 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -42.69 99.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.155 1.343 . . . . 0.0 113.169 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -64.39 -42.13 96.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.862 0.465 . . . . 0.0 111.345 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -36.5 84.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.252 1.021 . . . . 0.0 112.486 169.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -32.73 74.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.19 -1.569 . . . . 0.0 113.054 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -61.1 -19.06 61.02 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.626 1.17 . . . . 0.0 114.018 167.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -126.89 20.48 7.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.14 2.176 . . . . 0.0 113.351 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.33 72.53 0.08 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 127.593 2.357 . . . . 0.0 111.736 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.44 -173.75 2.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.725 1.61 . . . . 0.0 111.23 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -63.98 -31.9 73.25 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -58.14 -22.95 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -26.91 68.39 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.72 1.608 . . . . 0.0 113.414 175.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.17 -34.44 63.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.907 0.883 . . . . 0.0 112.347 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.48 -46.25 33.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.554 0.742 . . . . 0.0 110.428 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -29.28 69.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.228 1.011 . . . . 0.0 113.217 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -50.21 -28.11 7.03 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.734 1.614 . . . . 0.0 113.217 176.249 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -48.33 -32.86 8.02 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 171.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.48 -35.89 3.31 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.004 2.121 . . . . 0.0 113.251 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.0 -36.5 69.77 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.353 -1.467 . . . . 0.0 112.752 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -63.34 -30.29 71.45 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 120.492 -1.38 . . . . 0.0 111.764 171.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -80.29 -36.83 33.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.339 1.056 . . . . 0.0 112.151 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -40.69 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.7 -36.6 76.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.536 169.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.1 p -62.4 -33.68 75.24 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 122.641 2.473 . . . . 0.0 112.932 170.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.89 -31.69 72.0 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 116.23 -1.843 . . . . 0.0 112.403 164.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mt -63.63 -46.1 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 123.197 2.726 . . . . 0.0 113.008 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.08 92.16 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 121.019 1.736 . . . . 0.0 111.635 176.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.8 tp -63.51 -37.77 88.58 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.25 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.51 -46.18 84.08 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -39.3 94.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 120.997 1.726 . . . . 0.0 112.242 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.51 -62.18 2.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.523 1.529 . . . . 0.0 110.05 166.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -70.46 -0.21 7.93 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.421 -2.049 . . . . 0.0 115.212 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.71 -67.56 0.82 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.397 2.279 . . . . 0.0 107.554 162.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.484 ' HB ' HD23 ' A' ' 36' ' ' LEU . 16.9 m -92.16 -31.75 15.36 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -167.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -42.33 98.04 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.73 1.605 . . . . 0.0 110.696 165.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -80.53 -38.29 29.98 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.344 -0.848 . . . . 0.0 110.513 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -56.62 -35.71 68.62 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 116.287 -1.816 . . . . 0.0 111.138 163.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.74 -50.96 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 121.11 1.777 . . . . 0.0 111.747 172.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -76.45 -13.03 60.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.32 -10.6 37.72 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.404 1.881 . . . . 0.0 113.866 173.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 mt -51.94 132.98 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.713 1.605 . . . . 0.0 110.107 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -98.59 148.63 23.6 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 122.3 1.048 . . . . 0.0 111.463 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.2 p -90.69 146.37 24.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.71 1.604 . . . . 0.0 111.42 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.847 1.659 . . . . 0.0 112.692 -170.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -52.49 -25.89 11.46 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.146 -1.596 . . . . 0.0 113.212 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -60.29 4.06 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 167.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.37 -43.45 98.8 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.358 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.28 -33.48 74.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.224 0.92 . . . . 0.0 112.728 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.78 12.61 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.478 172.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.61 -36.57 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 120.041 1.291 . . . . 0.0 111.779 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.15 -55.7 29.28 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 119.62 -1.925 . . . . 0.0 111.316 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -50.12 68.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.227 175.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.74 -50.37 68.31 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 125.6 1.572 . . . . 0.0 114.378 -175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.54 -36.34 78.2 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.676 1.238 . . . . 0.0 111.812 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -72.8 -34.15 66.7 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.654 -0.654 . . . . 0.0 111.792 171.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -22.53 66.6 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 116.436 -1.745 . . . . 0.0 111.753 170.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.23 -21.94 65.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.878 2.126 . . . . 0.0 112.674 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -25.11 17.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 169.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -40.89 34.35 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 111.971 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.905 HD13 HG21 ' A' ' 107' ' ' THR . 2.7 pp -56.67 -21.72 29.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.045 1.338 . . . . 0.0 113.671 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.482 ' N ' HD12 ' A' ' 36' ' ' LEU . 69.3 mt-30 -59.17 -26.18 64.57 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.269 1.028 . . . . 0.0 111.394 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -69.31 -38.58 78.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.114 0.966 . . . . 0.0 113.011 168.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -66.06 -30.94 71.56 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.718 -1.239 . . . . 0.0 112.577 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.611 HD11 HD23 ' A' ' 59' ' ' LEU . 4.4 mm? -57.51 -46.59 83.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.802 0.728 . . . . 0.0 111.011 168.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.9 -41.2 95.8 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.451 1.023 . . . . 0.0 112.983 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -40.83 81.26 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.046 -1.034 . . . . 0.0 111.913 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -75.5 -35.88 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.064 1.345 . . . . 0.0 111.442 172.714 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -31.43 60.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.028 1.74 . . . . 0.0 112.045 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.7 -22.48 62.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.83 1.252 . . . . 0.0 113.43 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.65 -50.09 6.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.502 1.121 . . . . 0.0 111.72 173.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -81.42 13.72 2.84 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.698 1.199 . . . . 0.0 113.933 177.819 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.64 91.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.546 1.938 . . . . 0.0 113.194 -171.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -141.27 -65.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.251 1.42 . . . . 0.0 112.401 -170.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -143.99 -54.52 0.36 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.477 1.511 . . . . 0.0 111.059 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.38 11.18 2.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.11 -23.84 1.4 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.781 2.033 . . . . 0.0 115.662 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.05 8.08 7.32 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.39 1.076 . . . . 0.0 113.03 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -114.0 -41.58 3.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.7 tp -73.93 -29.45 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 119.735 1.152 . . . . 0.0 110.776 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.6 tt -51.61 -49.08 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.823 0.849 . . . . 0.0 109.95 164.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -69.99 -39.68 75.78 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.805 0.842 . . . . 0.0 113.091 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.33 -52.31 64.18 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.108 1.322 . . . . 0.0 111.76 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.611 HD23 HD11 ' A' ' 40' ' ' LEU . 41.0 tp -69.74 -35.3 74.85 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.469 -0.769 . . . . 0.0 112.105 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.3 -40.27 85.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.879 0.872 . . . . 0.0 112.91 166.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 t -61.14 -43.78 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -33.48 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.288 1.404 . . . . 0.0 112.768 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.26 79.57 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.756 1.162 . . . . 0.0 111.788 176.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.73 69.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.43 -1.419 . . . . 0.0 112.088 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.3 tpt -63.52 -45.98 88.13 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.404 0.681 . . . . 0.0 111.39 169.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -28.79 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 121.631 -0.668 . . . . 0.0 112.176 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -26.99 62.29 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.495 1.118 . . . . 0.0 112.352 170.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.11 -23.15 78.26 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 120.946 -1.096 . . . . 0.0 114.53 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.864 1.332 . . . . 0.0 112.261 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -24.54 66.08 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.341 -0.849 . . . . 0.0 112.476 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.7 67.2 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.088 0.852 . . . . 0.0 113.321 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.56 -33.56 58.51 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.109 0.955 . . . . 0.0 112.03 166.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -36.63 76.67 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.004 0.922 . . . . 0.0 112.282 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -27.75 64.72 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.392 -1.442 . . . . 0.0 113.325 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -42.64 68.49 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.081 1.752 . . . . 0.0 112.527 174.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.47 -35.67 80.04 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.845 -0.598 . . . . 0.0 111.018 170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -31.29 64.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -73.79 -30.04 62.52 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.07 0.948 . . . . 0.0 112.893 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -80.83 -30.41 35.76 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.246 1.418 . . . . 0.0 112.28 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.2 p -129.62 74.75 1.61 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.307 2.243 . . . . 0.0 109.828 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.45 168.09 0.42 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.073 0.949 . . . . 0.0 112.113 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.59 49.28 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.897 1.679 . . . . 0.0 114.38 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -120.4 -59.59 1.76 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.604 1.961 . . . . 0.0 111.339 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.33 -32.62 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.645 -0.66 . . . . 0.0 111.321 168.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -21.63 66.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.309 0.643 . . . . 0.0 112.173 -178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.8 -44.81 86.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.473 1.109 . . . . 0.0 113.038 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -35.58 28.06 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.354 0.524 . . . . 0.0 111.96 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -18.44 64.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.79 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.1 m-80 -44.52 -31.4 1.1 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.363 1.438 . . . . 0.0 113.171 170.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -51.73 -25.4 7.36 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -131.16 -30.83 1.71 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.289 1.436 . . . . 0.0 112.354 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.29 -43.3 61.23 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.211 1.404 . . . . 0.0 112.242 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -62.16 -32.88 73.54 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 120.587 -1.32 . . . . 0.0 110.989 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -74.85 -39.7 61.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.416 1.087 . . . . 0.0 112.119 175.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -41.46 75.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.586 1.085 . . . . 0.0 111.628 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.37 -34.14 70.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.34 -0.85 . . . . 0.0 111.513 171.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 100' ' ' LEU . 22.8 t -61.09 -28.18 68.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.878 1.672 . . . . 0.0 112.297 168.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.54 -31.64 69.96 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.635 -1.65 . . . . 0.0 112.777 165.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.71 -46.51 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.313 2.324 . . . . 0.0 112.239 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -67.37 -41.21 85.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.42 1.918 . . . . 0.0 111.75 177.155 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.56 -37.16 84.36 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.774 -0.579 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -62.83 -43.94 97.47 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-O 116.6 -1.667 . . . . 0.0 111.692 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.3 77.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 122.801 2.546 . . . . 0.0 112.473 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.65 -60.73 2.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.332 0.653 . . . . 0.0 111.207 166.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -66.59 -4.71 9.24 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 119.466 -2.021 . . . . 0.0 114.246 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.594 1.958 . . . . 0.0 108.075 165.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.905 HG21 HD13 ' A' ' 36' ' ' LEU . 15.5 m -91.68 -42.31 10.24 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -170.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.04 81.33 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 121.132 1.787 . . . . 0.0 111.74 167.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.64 -46.04 55.97 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.138 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -55.06 -34.83 63.9 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.962 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.461 ' HA ' HD12 ' A' ' 114' ' ' ILE . 1.2 t -53.0 -50.97 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 120.671 1.578 . . . . 0.0 111.206 174.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -75.8 -16.15 60.14 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.789 -1.194 . . . . 0.0 113.351 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.99 -19.76 33.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.788 1.635 . . . . 0.0 114.0 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 111' ' ' VAL . 16.7 mt -51.36 129.34 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 110.277 -175.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -91.35 154.87 18.91 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 122.101 0.953 . . . . 0.0 113.386 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.5 p -92.98 138.46 31.46 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 125.236 1.414 . . . . 0.0 110.796 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 . . . . . 0 C--O 1.255 1.344 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -170.229 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -27.74 10.36 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.628 -1.295 . . . . 0.0 113.212 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.51 -55.7 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.833 0.742 . . . . 0.0 112.677 170.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.16 -38.5 88.23 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.256 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -61.13 -34.37 74.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.598 1.09 . . . . 0.0 113.465 171.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.82 68.19 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.253 0.933 . . . . 0.0 112.219 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.31 -40.4 77.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-N 119.602 1.092 . . . . 0.0 110.681 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.04 -59.46 5.05 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 121.468 1.94 . . . . 0.0 111.696 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -62.25 -43.27 99.2 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.686 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.462 ' O ' HD13 ' A' ' 33' ' ' LEU . . . -59.86 -56.94 21.98 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 119.991 1.269 . . . . 0.0 113.335 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.63 -35.44 77.9 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.786 1.634 . . . . 0.0 112.607 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -70.84 -44.04 67.28 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.065 -1.022 . . . . 0.0 111.606 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.47 -26.9 68.93 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-O 117.364 -1.303 . . . . 0.0 112.051 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 103' ' ' ASP . 3.5 mp -63.9 -32.12 73.53 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 121.824 2.102 . . . . 0.0 112.456 176.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.92 95.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.51 0.724 . . . . 0.0 110.882 165.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.63 -33.46 66.65 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.254 1.021 . . . . 0.0 113.21 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -63.01 -25.06 68.21 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.751 2.42 . . . . 0.0 110.634 178.183 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.73 -21.49 41.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.986 0.914 . . . . 0.0 113.418 167.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -78.39 -27.35 46.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.603 -1.311 . . . . 0.0 111.762 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -67.33 -27.8 67.44 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.863 0.865 . . . . 0.0 111.845 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.09 -57.28 12.81 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.29 -0.862 . . . . 0.0 108.822 165.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -39.81 77.54 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -44.51 93.7 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.212 -0.93 . . . . 0.0 112.894 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD12 HD12 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -80.41 -39.71 27.81 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.457 1.103 . . . . 0.0 109.976 177.815 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.62 -26.89 67.36 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.282 1.033 . . . . 0.0 112.108 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.48 -23.05 66.2 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 166.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -95.17 -43.59 8.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.357 1.063 . . . . 0.0 112.054 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 11.21 13.68 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.884 1.273 . . . . 0.0 113.703 175.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -44.18 86.26 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 129.257 3.023 . . . . 0.0 115.348 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -127.35 -59.76 1.22 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.12 1.368 . . . . 0.0 112.427 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.32 -53.04 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.916 1.287 . . . . 0.0 111.74 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mp -66.62 -0.28 2.76 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -51.2 -28.43 11.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.093 1.757 . . . . 0.0 114.186 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -120.36 12.69 11.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.548 1.139 . . . . 0.0 112.262 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -119.69 -49.98 2.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.932 1.693 . . . . 0.0 111.605 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.78 -25.11 25.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.72 -0.612 . . . . 0.0 111.875 174.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.29 -44.05 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.289 0.95 . . . . 0.0 110.703 163.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mmm-85 -81.54 -38.98 25.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.346 1.058 . . . . 0.0 112.609 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.08 -46.48 70.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.196 0.998 . . . . 0.0 112.03 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD23 HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -69.23 -42.1 76.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.517 174.264 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.0 -38.69 70.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.627 1.558 . . . . 0.0 112.739 170.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -46.58 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.28 -0.887 . . . . 0.0 110.832 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG12 HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -79.28 -28.44 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.664 0.665 . . . . 0.0 112.659 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.49 -45.32 72.65 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.112 1.765 . . . . 0.0 111.163 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.71 69.43 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.268 1.027 . . . . 0.0 112.674 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.3 ttt -71.17 -43.35 67.66 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.112 -0.993 . . . . 0.0 112.226 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 tp -68.4 -38.45 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.594 172.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.77 -47.53 50.93 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 111.469 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.25 -36.4 68.77 Favored Glycine 0 CA--C 1.54 1.597 0 O-C-N 120.293 -1.504 . . . . 0.0 114.223 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.41 64.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.405 1.082 . . . . 0.0 113.395 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -61.61 -44.18 97.48 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.257 -0.902 . . . . 0.0 111.518 168.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.29 -47.19 50.91 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.41 1.005 . . . . 0.0 111.642 168.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.64 99.67 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.868 1.334 . . . . 0.0 113.856 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -50.15 71.48 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.253 0.933 . . . . 0.0 112.162 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -68.01 -32.15 72.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.63 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.29 95.16 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.662 1.185 . . . . 0.0 113.192 173.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.72 -42.2 86.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.455 0.57 . . . . 0.0 110.544 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.56 -37.91 88.01 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.323 169.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.33 1.38 0.52 Allowed 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 121.308 1.867 . . . . 0.0 115.26 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -110.57 -5.28 15.12 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.553 1.541 . . . . 0.0 112.647 168.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -139.03 35.28 2.13 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.792 2.437 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -105.95 104.56 14.29 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 110.14 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -123.13 -159.29 0.83 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.12 1.368 . . . . 0.0 109.563 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -76.7 -26.0 54.22 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.995 -1.066 . . . . 0.0 112.529 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -54.21 -24.29 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 171.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -32.95 66.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.886 1.221 . . . . 0.0 112.687 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.35 -29.23 70.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.514 0.726 . . . . 0.0 112.55 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -93.26 -42.93 9.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.963 1.305 . . . . 0.0 111.68 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.82 -25.95 67.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.888 1.275 . . . . 0.0 112.315 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -46.9 -29.65 2.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -50.93 -27.92 8.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.05 -32.98 2.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.472 1.909 . . . . 0.0 112.738 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.35 -39.79 71.09 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.434 -1.416 . . . . 0.0 113.235 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.93 -33.69 75.87 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 119.138 0.881 . . . . 0.0 110.42 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -73.99 -41.54 61.77 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.37 1.068 . . . . 0.0 112.673 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -42.9 86.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.668 1.122 . . . . 0.0 111.672 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.85 -32.52 69.56 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.71 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -56.59 -42.65 79.05 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 121.963 2.165 . . . . 0.0 111.699 170.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -59.17 -29.75 67.68 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 116.897 -1.525 . . . . 0.0 112.883 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.49 -52.37 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 121.487 1.949 . . . . 0.0 111.086 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -38.92 72.21 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.347 1.43 . . . . 0.0 111.618 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.74 -37.98 64.92 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 116.773 -1.584 . . . . 0.0 112.09 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -56.8 -43.98 81.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.264 1.826 . . . . 0.0 111.009 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.682 ' HB3' HD11 ' A' ' 33' ' ' LEU . 15.8 m-20 -71.35 -37.15 71.69 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.182 0.593 . . . . 0.0 111.303 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 mp -65.17 -60.18 3.29 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.622 0.769 . . . . 0.0 111.103 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -6.37 6.76 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 118.186 -2.821 . . . . 0.0 115.17 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.18 -69.93 0.5 Allowed 'General case' 0 C--O 1.22 -0.462 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 156.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.603 HG22 HD12 ' A' ' 36' ' ' LEU . 56.3 m -81.72 -42.59 19.63 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.233 1.379 . . . . 0.0 114.608 -168.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -46.18 88.79 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.623 1.569 . . . . 0.0 111.691 170.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.02 -39.66 55.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.051 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -54.93 -38.46 67.7 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 116.583 -1.675 . . . . 0.0 110.446 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.74 -52.33 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 120.484 1.493 . . . . 0.0 111.93 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -14.59 61.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -91.02 -9.36 46.2 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.549 1.939 . . . . 0.0 114.108 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.423 HD12 HD12 ' A' ' 43' ' ' LEU . 33.0 mt -52.87 137.26 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 110.485 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -100.39 146.4 27.04 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.372 1.069 . . . . 0.0 112.135 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 p -85.48 123.02 30.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.984 1.314 . . . . 0.0 111.168 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.38 1.872 . . . . 0.0 115.553 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.58 -29.05 64.15 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.517 -0.74 . . . . 0.0 111.532 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -63.94 -56.66 13.6 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.986 1.315 . . . . 0.0 113.463 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -68.75 -39.81 80.12 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.01 -32.34 70.79 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.244 0.929 . . . . 0.0 112.654 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.51 59.91 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.939 0.79 . . . . 0.0 112.515 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.93 -36.18 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 120.11 1.323 . . . . 0.0 111.007 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.85 -48.74 65.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 119.883 -1.761 . . . . 0.0 111.6 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.16 -33.66 38.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 117.359 -1.305 . . . . 0.0 112.776 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.16 51.03 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 119.941 1.246 . . . . 0.0 112.828 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.13 -39.8 90.15 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.04 1.336 . . . . 0.0 111.576 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.02 -46.64 88.28 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 0.0 111.804 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.63 -18.0 63.56 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.168 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.36 -39.53 89.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.712 1.596 . . . . 0.0 110.532 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.85 -41.27 97.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.218 1.007 . . . . 0.0 112.635 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -66.88 -30.55 70.74 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.829 1.195 . . . . 0.0 113.031 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.46 HD13 ' HB ' ' A' ' 107' ' ' THR . 0.7 OUTLIER -63.74 -27.4 69.17 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.343 1.057 . . . . 0.0 112.038 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -55.72 -20.31 14.02 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.554 1.142 . . . . 0.0 113.733 168.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -83.65 -25.79 30.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.935 -1.103 . . . . 0.0 113.016 171.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -68.0 -27.0 66.18 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.745 -1.222 . . . . 0.0 112.0 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.09 -38.91 68.71 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.381 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -42.12 79.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.73 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -35.25 69.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.273 1.029 . . . . 0.0 112.543 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -35.9 25.21 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.631 1.972 . . . . 0.0 111.611 175.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.82 61.45 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.83 1.195 . . . . 0.0 112.539 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.74 -22.34 65.23 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.245 1.418 . . . . 0.0 114.676 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.06 -42.99 8.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.878 1.271 . . . . 0.0 111.684 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -91.81 19.47 6.51 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.472 1.509 . . . . 0.0 113.938 179.007 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 p -57.14 80.11 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 128.551 2.74 . . . . 0.0 114.593 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -131.57 -68.66 0.64 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.477 1.511 . . . . 0.0 111.996 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -145.83 -54.66 0.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.444 . . . . 0.0 111.089 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.54 6.06 2.64 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -52.46 -27.54 16.53 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.182 1.393 . . . . 0.0 113.785 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -116.83 12.03 14.65 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.889 1.275 . . . . 0.0 112.727 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -120.96 -47.52 2.28 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.112 1.765 . . . . 0.0 112.452 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.6 tp -73.29 -27.42 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 121.326 -0.859 . . . . 0.0 111.21 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -53.34 -39.84 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.63 0.772 . . . . 0.0 111.381 163.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -77.48 -39.26 47.13 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.415 1.086 . . . . 0.0 112.124 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.31 -45.18 66.77 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.567 1.076 . . . . 0.0 113.367 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -39.75 91.76 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.796 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -57.63 -43.55 84.92 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.22 1.373 . . . . 0.0 112.192 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.92 -46.25 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.859 -1.151 . . . . 0.0 112.063 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -30.51 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.629 0.65 . . . . 0.0 112.512 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.2 t -64.29 -52.1 60.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.985 2.114 . . . . 0.0 111.567 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.98 74.75 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 112.495 174.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ttt -67.82 -47.36 69.27 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.154 -0.966 . . . . 0.0 112.005 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -33.35 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 121.616 -0.677 . . . . 0.0 111.76 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.64 -53.72 53.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.233 1.413 . . . . 0.0 110.51 168.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.51 -36.63 71.38 Favored Glycine 0 CA--C 1.54 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 113.398 173.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.53 86.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.252 1.026 . . . . 0.0 113.209 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.82 -38.01 89.53 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.598 1.09 . . . . 0.0 111.256 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.41 -40.57 54.11 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.434 1.492 . . . . 0.0 113.833 169.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.27 72.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.9 1.35 . . . . 0.0 112.729 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -48.89 76.22 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.994 0.918 . . . . 0.0 112.144 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.41 -33.22 75.45 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.293 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -65.93 -45.51 81.59 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.002 1.274 . . . . 0.0 112.807 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.73 -38.59 85.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.199 0.454 . . . . 0.0 111.924 171.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -35.31 74.55 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.81 -23.23 67.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.56 1.544 . . . . 0.0 113.738 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -79.19 -5.46 54.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.132 1.373 . . . . 0.0 113.976 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.8 t -129.78 34.74 4.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.808 1.643 . . . . 0.0 111.665 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 63.43 0.3 Allowed 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.574 1.55 . . . . 0.0 112.803 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 -179.29 3.9 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.014 1.325 . . . . 0.0 112.131 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.7 -33.45 71.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.397 1.479 . . . . 0.0 113.681 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.97 -25.11 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.056 -1.028 . . . . 0.0 113.618 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.2 -24.43 64.94 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.794 0.837 . . . . 0.0 112.255 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.83 -33.99 62.26 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.199 1.363 . . . . 0.0 112.028 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -50.43 32.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.345 1.058 . . . . 0.0 111.149 169.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.72 -22.21 64.35 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.746 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -50.91 -28.22 9.21 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.842 1.656 . . . . 0.0 112.892 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.12 -36.24 18.41 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.972 0.806 . . . . 0.0 112.998 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.42 -39.8 3.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.636 1.174 . . . . 0.0 112.306 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.47 -43.95 88.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.802 1.183 . . . . 0.0 113.538 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.518 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -65.77 -35.34 80.44 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 120.012 1.278 . . . . 0.0 111.536 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -73.58 -28.33 61.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.623 0.769 . . . . 0.0 112.183 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.21 -47.09 84.0 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.583 -1.323 . . . . 0.0 110.396 167.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.57 -40.04 95.95 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.662 171.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -59.15 -33.49 70.97 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.101 1.773 . . . . 0.0 112.966 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -28.55 67.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 117.153 -1.403 . . . . 0.0 112.614 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.4 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 121.477 1.944 . . . . 0.0 111.948 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -37.87 88.92 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 121.389 1.904 . . . . 0.0 112.019 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.94 -42.16 66.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.305 0.642 . . . . 0.0 109.767 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -53.71 -46.83 70.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.501 1.92 . . . . 0.0 112.059 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -61.59 -39.73 92.26 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.184 1.356 . . . . 0.0 112.099 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.12 -64.25 0.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.981 0.912 . . . . 0.0 111.098 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 1.2 4.01 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 121.056 1.753 . . . . 0.0 115.417 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -81.87 -70.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.774 1.229 . . . . 0.0 108.156 157.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.46 ' HB ' HD13 ' A' ' 36' ' ' LEU . 47.2 m -85.3 -32.54 22.46 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -165.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -39.58 72.7 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.091 -1.631 . . . . 0.0 112.074 168.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -41.96 63.05 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.329 -0.857 . . . . 0.0 109.814 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -54.38 -38.85 66.62 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.122 -1.418 . . . . 0.0 111.375 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.15 -49.92 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 120.796 1.634 . . . . 0.0 112.146 170.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -76.28 -13.89 60.14 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -93.2 -14.49 27.04 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.386 1.875 . . . . 0.0 113.646 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.434 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 20.3 mt -52.73 141.16 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.628 1.171 . . . . 0.0 110.59 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -111.85 158.75 19.05 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.384 1.088 . . . . 0.0 112.649 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 p -95.66 128.85 42.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.896 1.678 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.444 1.897 . . . . 0.0 115.131 -164.134 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -26.69 36.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.862 -1.149 . . . . 0.0 112.064 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -60.43 -57.33 13.2 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.305 1.042 . . . . 0.0 112.619 167.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -62.95 -45.09 94.12 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.384 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -60.73 -32.45 71.72 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.7 -53.65 55.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.863 1.21 . . . . 0.0 111.497 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.61 -38.67 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.631 1.105 . . . . 0.0 111.894 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -42.97 98.96 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 119.325 -2.109 . . . . 0.0 112.186 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -83.88 -39.45 19.86 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.07 173.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.98 11.76 Favored Glycine 0 N--CA 1.469 0.884 0 C-N-CA 124.556 1.074 . . . . 0.0 113.046 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.99 -32.23 67.69 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.684 1.194 . . . . 0.0 112.954 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -70.58 -47.61 59.39 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.238 0.926 . . . . 0.0 112.624 170.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -71.57 -13.7 61.86 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.682 1.193 . . . . 0.0 113.456 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.406 HD11 ' CB ' ' A' ' 103' ' ' ASP . 3.6 mp -67.67 -30.78 70.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.328 1.451 . . . . 0.0 111.979 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.05 -34.39 76.37 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.752 -0.593 . . . . 0.0 112.253 163.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -40.23 94.51 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.341 -0.85 . . . . 0.0 111.029 170.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -55.74 -29.34 59.39 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.17 1.388 . . . . 0.0 112.356 -178.397 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -56.82 -20.2 21.35 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 120.403 -1.436 . . . . 0.0 114.323 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -83.57 -29.03 28.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.909 1.683 . . . . 0.0 112.82 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -58.09 -32.6 68.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.072 0.851 . . . . 0.0 110.435 169.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.7 -41.19 90.22 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 119.351 0.978 . . . . 0.0 111.544 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -40.7 68.04 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.386 1.074 . . . . 0.0 113.016 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.58 -35.65 80.19 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.686 -1.259 . . . . 0.0 111.956 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -32.09 45.0 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.365 1.466 . . . . 0.0 112.522 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.59 54.02 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.285 1.857 . . . . 0.0 112.344 176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.47 -18.0 64.31 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.483 1.513 . . . . 0.0 114.771 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -38.41 8.66 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.197 1.399 . . . . 0.0 112.11 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 18.72 10.74 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.506 1.523 . . . . 0.0 113.442 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 p -54.77 87.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 128.281 2.632 . . . . 0.0 114.434 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -138.79 -72.3 0.4 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.585 1.554 . . . . 0.0 111.637 -171.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -149.71 -56.35 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.191 1.396 . . . . 0.0 110.855 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.96 0.99 1.56 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.34 -33.14 28.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.951 1.7 . . . . 0.0 115.067 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.73 8.08 20.54 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.347 1.059 . . . . 0.0 112.87 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -118.87 -44.85 2.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.983 1.713 . . . . 0.0 112.117 -171.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.4 tp -70.85 -30.21 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.642 0.777 . . . . 0.0 110.936 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 tt -50.81 -41.93 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.461 165.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.07 -39.94 54.31 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.257 1.023 . . . . 0.0 113.393 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.06 -49.06 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.881 1.219 . . . . 0.0 112.914 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -34.37 72.19 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.559 -0.713 . . . . 0.0 111.652 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.12 -39.52 86.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.634 1.106 . . . . 0.0 111.875 166.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -45.73 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.374 0.988 . . . . 0.0 110.312 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -33.76 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 118.812 0.733 . . . . 0.0 112.821 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.05 -44.42 80.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.213 1.405 . . . . 0.0 111.864 175.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.91 -35.35 74.51 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.64 1.176 . . . . 0.0 112.534 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -48.63 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.851 0.86 . . . . 0.0 111.525 173.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -38.41 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.845 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -52.09 -40.9 61.92 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.401 1.08 . . . . 0.0 112.336 167.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.51 98.49 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.205 -1.559 . . . . 0.0 113.826 171.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.68 58.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.487 1.115 . . . . 0.0 113.939 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -60.75 -43.89 97.4 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.222 -0.924 . . . . 0.0 111.242 168.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.05 -37.66 54.41 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.793 1.187 . . . . 0.0 113.533 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.93 -43.63 64.97 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.941 1.371 . . . . 0.0 113.066 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -47.51 82.43 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.262 0.625 . . . . 0.0 112.165 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.21 -34.76 76.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.117 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -57.13 -47.25 81.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.884 1.22 . . . . 0.0 112.254 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.89 -40.95 97.71 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.399 0.28 . . . . 0.0 111.405 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -37.04 83.41 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -27.24 68.04 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.758 1.223 . . . . 0.0 112.887 175.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -75.77 -20.42 58.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.752 1.621 . . . . 0.0 113.18 171.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.9 p -122.83 39.77 3.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.99 2.116 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.83 85.78 4.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.975 1.71 . . . . 0.0 111.56 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.4 -171.23 2.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.714 1.605 . . . . 0.0 111.18 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -72.71 -25.2 61.14 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.399 -1.438 . . . . 0.0 113.65 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.55 -28.38 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 172.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -30.23 68.76 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.621 1.168 . . . . 0.0 111.631 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.86 -30.9 68.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.571 1.078 . . . . 0.0 113.005 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -42.86 14.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.88 1.272 . . . . 0.0 110.816 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -21.81 64.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 117.261 -1.352 . . . . 0.0 112.111 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -45.87 -33.84 3.45 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.2 1.8 . . . . 0.0 112.422 177.36 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -47.9 -27.24 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -129.77 -30.14 2.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.384 1.873 . . . . 0.0 112.481 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -74.25 -42.23 60.0 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.479 -1.388 . . . . 0.0 112.764 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -62.47 -32.21 73.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.889 0.768 . . . . 0.0 110.999 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.91 -38.15 38.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.925 1.29 . . . . 0.0 112.682 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -42.45 82.83 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.55 -1.344 . . . . 0.0 110.867 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.27 -32.17 64.5 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.33 -1.319 . . . . 0.0 112.8 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 p -57.92 -42.88 85.73 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 122.384 2.357 . . . . 0.0 111.007 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -56.85 -33.16 66.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 116.574 -1.679 . . . . 0.0 113.428 169.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mm -59.29 -57.22 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 121.56 1.982 . . . . 0.0 110.801 173.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -40.58 87.52 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.429 1.468 . . . . 0.0 112.662 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.45 -41.74 93.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 111.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -63.45 -44.11 95.44 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 125.863 1.665 . . . . 0.0 110.969 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.406 ' CB ' HD11 ' A' ' 33' ' ' LEU . 44.3 m-20 -63.64 -36.62 84.43 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 121.219 1.827 . . . . 0.0 111.776 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.03 -58.21 6.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.657 0.783 . . . . 0.0 111.086 165.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -65.04 -3.41 3.57 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 119.458 -2.026 . . . . 0.0 114.67 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.94 -73.59 0.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.735 2.014 . . . . 0.0 106.995 163.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 36' ' ' LEU . 14.0 m -77.69 -36.68 50.89 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.959 1.254 . . . . 0.0 113.645 -168.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.98 -41.31 78.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.348 1.459 . . . . 0.0 111.036 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -79.87 -39.08 31.33 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.468 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -54.49 -39.38 67.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 116.243 -1.837 . . . . 0.0 110.584 163.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.65 -51.79 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 120.98 1.718 . . . . 0.0 111.978 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -66.46 -28.47 68.62 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.043 -1.036 . . . . 0.0 113.229 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.56 -7.74 59.63 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.473 1.909 . . . . 0.0 114.599 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.1 mt -54.81 134.13 18.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 124.114 0.965 . . . . 0.0 109.827 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -91.44 152.1 20.52 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 122.555 1.169 . . . . 0.0 112.031 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.3 p -85.85 149.8 24.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.002 1.321 . . . . 0.0 110.894 168.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.72 -1.609 . . . . 0.0 113.219 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -45.52 -35.77 4.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -61.02 -53.83 52.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.134 0.879 . . . . 0.0 113.282 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.4 -46.84 68.89 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 123.625 0.77 . . . . 0.0 109.839 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -57.29 -36.23 70.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.106 0.866 . . . . 0.0 113.079 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.23 90.79 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.762 1.165 . . . . 0.0 112.894 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.9 -30.63 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.219 1.827 . . . . 0.0 112.715 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.12 -52.39 59.38 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.82 -1.175 . . . . 0.0 110.679 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -76.38 -34.45 58.89 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.888 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.0 -47.51 73.31 Favored Glycine 0 N--CA 1.466 0.663 0 CA-C-N 119.839 1.2 . . . . 0.0 113.328 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 33' ' ' LEU . 29.2 mt-10 -70.93 -30.74 67.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.315 1.558 . . . . 0.0 112.921 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -76.64 -35.92 57.72 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.159 -0.963 . . . . 0.0 112.309 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.07 -15.06 52.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.799 1.24 . . . . 0.0 112.75 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 30' ' ' GLU . 4.1 mt -59.84 -46.45 89.22 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 121.118 1.781 . . . . 0.0 110.225 166.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.83 -49.73 75.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.688 0.795 . . . . 0.0 110.75 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -59.05 -33.81 71.2 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.451 -0.78 . . . . 0.0 112.677 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD13 ' HB ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -56.2 -25.99 49.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.934 2.094 . . . . 0.0 112.505 178.668 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.26 -30.45 68.29 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.37 1.068 . . . . 0.0 112.546 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -74.12 -24.49 59.46 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.946 -1.096 . . . . 0.0 112.68 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -18.94 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.298 1.439 . . . . 0.0 112.674 172.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.61 -31.89 69.03 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.131 -0.98 . . . . 0.0 110.847 164.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.03 -42.97 56.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.287 1.035 . . . . 0.0 112.705 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -61.85 -30.57 70.94 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.976 -1.078 . . . . 0.0 112.46 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -36.19 58.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.435 1.894 . . . . 0.0 111.673 172.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -23.64 25.42 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.889 1.222 . . . . 0.0 113.156 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -72.4 -30.93 65.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.941 1.296 . . . . 0.0 114.176 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -83.01 -50.82 8.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.149 1.38 . . . . 0.0 111.937 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -85.61 17.38 3.31 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 179.13 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -55.12 88.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.404 2.282 . . . . 0.0 113.739 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -137.49 -71.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.639 1.576 . . . . 0.0 112.168 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -147.98 -54.17 0.2 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.242 1.417 . . . . 0.0 112.037 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.99 -0.92 2.61 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -52.32 -24.62 7.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.803 2.041 . . . . 0.0 115.295 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.51 10.91 13.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.031 1.332 . . . . 0.0 112.851 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.34 -47.73 1.99 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.361 1.864 . . . . 0.0 112.039 -172.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.74 -25.39 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.583 -0.698 . . . . 0.0 111.8 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.7 tt -51.89 -42.05 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.11 0.564 . . . . 0.0 110.609 163.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -74.72 -36.53 62.69 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.387 1.075 . . . . 0.0 112.355 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.14 -50.35 64.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.801 0.84 . . . . 0.0 112.379 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mt -70.27 -32.9 70.92 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.503 -0.748 . . . . 0.0 111.881 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.62 -39.31 80.11 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.535 1.061 . . . . 0.0 112.119 165.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -59.9 -46.76 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.416 1.007 . . . . 0.0 111.264 174.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -34.77 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.12 0.873 . . . . 0.0 112.493 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.46 -55.22 36.1 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.111 1.765 . . . . 0.0 111.557 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.66 76.15 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.231 1.012 . . . . 0.0 112.403 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.9 ttt -67.63 -44.77 77.2 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 112.21 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tt -76.98 -26.74 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.175 0.898 . . . . 0.0 112.476 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.77 -57.02 14.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.333 1.453 . . . . 0.0 110.474 165.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.08 96.63 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.528 -0.732 . . . . 0.0 113.304 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.1 95.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.896 0.878 . . . . 0.0 112.686 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.93 -37.48 81.7 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.143 -0.973 . . . . 0.0 111.999 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.74 55.44 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.01 0.814 . . . . 0.0 112.368 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.38 85.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 118.038 0.919 . . . . 0.0 112.936 171.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -47.6 79.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.056 0.844 . . . . 0.0 112.85 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.72 -37.21 84.23 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.454 -0.779 . . . . 0.0 112.462 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.58 -36.68 83.23 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 112.86 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -66.64 -35.1 79.37 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.395 -0.815 . . . . 0.0 111.295 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -37.96 84.43 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -58.99 -34.2 71.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.719 1.145 . . . . 0.0 112.794 172.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -75.41 -15.95 60.4 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.684 1.593 . . . . 0.0 113.919 173.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -124.8 33.27 5.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.128 1.771 . . . . 0.0 111.735 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.58 93.93 7.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.409 1.484 . . . . 0.0 109.434 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -131.53 -176.83 4.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.007 1.323 . . . . 0.0 111.38 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.44 -34.06 64.13 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.717 0.807 . . . . 0.0 112.432 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -60.55 -24.13 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -29.15 69.93 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 120.236 1.38 . . . . 0.0 111.503 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -67.86 -31.36 71.13 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.688 1.131 . . . . 0.0 112.785 174.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.17 -44.38 12.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.971 0.908 . . . . 0.0 111.575 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -23.21 64.82 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.6 1.16 . . . . 0.0 112.035 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -49.42 -28.77 5.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.387 1.449 . . . . 0.0 113.452 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -47.17 -33.09 4.89 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 169.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.74 -37.73 2.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.575 1.55 . . . . 0.0 113.118 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.83 -49.13 78.7 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.832 -1.168 . . . . 0.0 112.301 170.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -65.77 -34.92 79.29 Favored 'General case' 0 C--N 1.342 0.265 0 O-C-N 120.68 -1.263 . . . . 0.0 112.261 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -71.42 -29.53 65.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.265 0.626 . . . . 0.0 112.07 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -48.84 76.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.345 0.975 . . . . 0.0 111.029 167.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.83 -38.53 91.44 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.36 1.437 . . . . 0.0 111.579 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -54.12 -46.6 72.2 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.625 1.102 . . . . 0.0 111.739 170.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -62.34 -33.25 74.35 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 116.184 -1.865 . . . . 0.0 112.698 170.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.79 -50.84 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.691 2.496 . . . . 0.0 112.013 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -40.47 95.53 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 121.083 1.765 . . . . 0.0 111.83 176.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.17 -36.37 83.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.613 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.41 -36.75 63.48 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.703 1.601 . . . . 0.0 112.223 171.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -59.26 -41.7 89.44 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 121.725 2.057 . . . . 0.0 110.797 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.97 -60.16 2.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.151 0.98 . . . . 0.0 111.519 167.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -68.44 -4.5 15.05 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 121.332 1.878 . . . . 0.0 115.367 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.46 -85.21 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.727 1.611 . . . . 0.0 107.265 156.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.433 ' HB ' HD13 ' A' ' 36' ' ' LEU . 17.6 m -69.06 -32.01 71.19 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.49 -40.75 66.66 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 121.108 1.776 . . . . 0.0 112.654 172.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -80.03 -41.6 25.45 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -55.2 -36.06 65.53 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.984 -1.484 . . . . 0.0 111.567 161.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -53.75 -52.23 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 120.999 1.727 . . . . 0.0 111.344 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -72.35 -16.36 61.87 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -86.31 -14.08 44.68 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.502 1.521 . . . . 0.0 114.014 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.452 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 8.3 mt -51.3 129.75 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.805 1.242 . . . . 0.0 110.936 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.56 158.45 32.48 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.47 1.129 . . . . 0.0 113.099 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 p -99.18 144.48 28.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.927 1.291 . . . . 0.0 110.282 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.149 1.779 . . . . 0.0 113.483 -168.492 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 120.164 0.03 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -137.79 170.28 16.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.526 1.53 . . . . 0.0 112.518 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -156.89 147.13 21.15 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.236 1.814 . . . . 0.0 111.832 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -157.58 66.27 0.49 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.43 1.11 . . . . 0.0 111.431 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -153.33 168.07 27.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.885 1.274 . . . . 0.0 112.391 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 54.78 99.04 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.39 2.676 . . . . 0.0 115.089 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.29 148.77 43.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.781 1.232 . . . . 0.0 111.1 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -138.2 121.4 16.91 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.468 1.507 . . . . 0.0 109.812 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -156.08 174.0 16.0 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.071 1.748 . . . . 0.0 110.354 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.83 151.86 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.247 2.219 . . . . 0.0 114.227 -171.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -149.8 166.24 30.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.408 1.483 . . . . 0.0 111.009 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.84 162.56 21.93 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.985 1.314 . . . . 0.0 111.83 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.94 73.94 1.03 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.551 1.54 . . . . 0.0 110.845 -173.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 tt -153.2 -179.53 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 125.319 1.448 . . . . 0.0 110.925 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.17 141.52 11.15 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.982 1.313 . . . . 0.0 112.095 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -29.94 66.34 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.795 1.634 . . . . 0.0 113.406 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -49.97 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.709 1.14 . . . . 0.0 112.696 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.93 -43.48 87.97 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.927 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -57.67 -39.09 76.31 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.0 1.273 . . . . 0.0 111.539 170.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.18 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 119.114 0.87 . . . . 0.0 112.722 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.9 pt -66.43 -41.18 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.001 1.273 . . . . 0.0 111.377 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.89 -53.99 50.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.222 0.919 . . . . 0.0 111.135 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -62.65 -50.94 69.22 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 117.77 -1.11 . . . . 0.0 110.443 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.16 83.8 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.93 1.241 . . . . 0.0 113.25 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.07 -41.25 70.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.027 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -63.05 -40.72 98.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 120.361 -1.462 . . . . 0.0 112.279 172.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -26.03 57.2 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.732 176.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.99 -44.54 94.45 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.586 1.994 . . . . 0.0 111.593 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.72 -32.13 71.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.061 0.944 . . . . 0.0 112.483 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -38.37 47.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.709 0.803 . . . . 0.0 111.957 173.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.54 -26.96 68.94 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.206 1.802 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -55.96 -24.06 36.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.016 0.926 . . . . 0.0 113.484 166.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -79.59 -29.97 41.4 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.845 -1.16 . . . . 0.0 112.342 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.37 -29.38 70.45 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.861 -1.149 . . . . 0.0 111.66 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.72 -40.55 75.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.033 166.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.82 -39.19 69.97 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.917 0.887 . . . . 0.0 111.431 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -48.18 75.38 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.502 -0.749 . . . . 0.0 110.967 172.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -33.25 68.13 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.757 1.223 . . . . 0.0 112.291 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.68 66.87 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.855 1.661 . . . . 0.0 112.458 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.31 -18.36 64.49 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.099 0.959 . . . . 0.0 113.39 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -93.85 -48.16 6.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.095 1.758 . . . . 0.0 111.494 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -83.52 12.14 6.07 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.443 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.23 79.32 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 128.15 2.58 . . . . 0.0 114.531 -171.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -133.65 -51.36 0.85 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.495 1.518 . . . . 0.0 113.391 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -150.25 -71.98 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.294 1.037 . . . . 0.0 111.512 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -69.09 19.23 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.13 -32.86 56.36 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.537 1.935 . . . . 0.0 114.362 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -111.03 4.2 19.29 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.65 1.18 . . . . 0.0 112.222 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -104.12 -51.25 3.17 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.606 1.562 . . . . 0.0 111.111 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tp -69.2 -30.38 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.006 0.922 . . . . 0.0 113.102 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 tt -53.07 -42.06 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.066 0.946 . . . . 0.0 111.796 164.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -80.78 -31.99 35.6 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 125.469 1.508 . . . . 0.0 112.884 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.98 -43.68 70.98 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.801 1.182 . . . . 0.0 111.949 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.07 -31.56 61.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.799 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.26 -39.59 79.62 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.125 0.875 . . . . 0.0 112.394 160.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.24 -47.45 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.64 1.109 . . . . 0.0 111.689 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -74.3 -34.32 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.931 0.787 . . . . 0.0 112.021 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.93 -55.07 38.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.62 1.168 . . . . 0.0 112.108 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.6 71.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.018 0.927 . . . . 0.0 112.784 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.8 ttt -69.49 -43.13 73.76 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.312 -0.867 . . . . 0.0 112.325 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -32.23 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.733 0.813 . . . . 0.0 112.29 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.75 -39.42 73.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.656 1.583 . . . . 0.0 111.138 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.33 -27.84 68.34 Favored Glycine 0 CA--C 1.536 1.378 0 O-C-N 121.094 -1.004 . . . . 0.0 114.536 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.85 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.789 1.294 . . . . 0.0 112.574 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -66.08 -34.71 78.69 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.491 -0.755 . . . . 0.0 111.522 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.12 -36.46 61.57 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.357 0.98 . . . . 0.0 113.638 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.36 -36.96 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 117.813 0.807 . . . . 0.0 112.234 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.45 72.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.056 0.942 . . . . 0.0 111.632 173.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.93 -33.07 72.59 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.528 -1.358 . . . . 0.0 113.113 174.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.49 -36.08 63.26 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.664 -0.647 . . . . 0.0 112.052 171.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -61.04 -34.6 75.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.366 0.53 . . . . 0.0 111.833 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.9 55.02 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -78.56 -27.69 45.86 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.604 1.162 . . . . 0.0 112.698 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -79.66 -32.48 41.54 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.104 1.361 . . . . 0.0 112.11 167.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -123.58 69.53 1.04 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.067 1.747 . . . . 0.0 110.565 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.05 169.55 2.63 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.339 -0.85 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.74 61.02 0.96 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.502 1.521 . . . . 0.0 111.748 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -128.02 -64.49 0.96 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.908 2.083 . . . . 0.0 109.982 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.47 -32.72 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 121.456 -0.777 . . . . 0.0 111.702 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.7 -27.24 67.73 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.34 0.656 . . . . 0.0 111.773 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.27 -27.66 66.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.636 0.774 . . . . 0.0 112.886 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -105.46 -39.55 6.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.365 1.066 . . . . 0.0 111.489 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -21.67 38.44 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.154 0.981 . . . . 0.0 112.247 172.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -33.83 0.84 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.213 1.405 . . . . 0.0 114.432 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -52.64 -23.92 7.47 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.12 -33.12 1.98 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.222 1.409 . . . . 0.0 111.646 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.8 -43.27 59.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.2 1.0 . . . . 0.0 111.864 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.31 70.62 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.035 -1.041 . . . . 0.0 111.405 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.79 -43.3 65.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.248 171.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -42.44 82.71 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.708 1.14 . . . . 0.0 111.307 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.78 -34.5 75.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.113 171.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -41.28 78.09 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.869 1.668 . . . . 0.0 111.697 168.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -63.08 -34.05 76.76 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 115.63 -2.128 . . . . 0.0 112.144 168.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.27 -47.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 123.016 2.644 . . . . 0.0 112.034 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -41.5 97.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.518 1.963 . . . . 0.0 112.172 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.2 tp -70.1 -39.49 75.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 19.1 mtpp -59.15 -44.02 92.06 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 127.128 2.171 . . . . 0.0 111.631 170.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -60.33 -39.46 87.15 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.156 1.343 . . . . 0.0 112.068 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -56.6 6.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.208 1.003 . . . . 0.0 111.692 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' HG3' ' HA ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -70.39 -6.95 39.26 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 119.462 -2.024 . . . . 0.0 114.144 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.52 -74.22 0.26 Allowed 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.4 m -82.14 -36.71 27.17 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -165.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -43.88 76.04 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.994 -1.691 . . . . 0.0 111.498 171.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.56 -38.81 65.1 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.966 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -41.64 71.75 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 116.414 -1.755 . . . . 0.0 110.244 166.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -50.78 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 121.298 1.863 . . . . 0.0 112.444 172.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -73.29 -13.14 61.07 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.02 -8.18 22.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.423 1.889 . . . . 0.0 113.498 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.451 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 15.8 mt -57.02 137.0 19.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 124.646 1.178 . . . . 0.0 110.187 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -104.14 159.13 15.94 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 122.53 1.157 . . . . 0.0 111.645 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.8 p -103.3 146.71 28.05 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 125.665 1.586 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.048 -173.649 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mttp . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 120.023 -0.037 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 135.24 44.02 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.146 1.378 . . . . 0.0 110.965 174.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.23 151.53 13.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.83 1.652 . . . . 0.0 109.272 170.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -153.46 100.41 2.42 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.222 0.534 . . . . 0.0 110.899 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -149.61 -57.03 0.19 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.863 0.865 . . . . 0.0 111.939 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 52.02 171.54 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.109 1.764 . . . . 0.0 114.056 -162.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -121.07 166.95 13.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.232 1.813 . . . . 0.0 109.05 173.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -135.16 132.2 37.71 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.907 0.883 . . . . 0.0 111.331 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -155.11 138.59 15.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.912 1.685 . . . . 0.0 109.912 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -157.12 160.43 38.82 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.886 1.274 . . . . 0.0 111.152 173.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -71.13 166.45 21.41 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.558 0.694 . . . . 0.0 111.057 166.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.3 mt -136.85 165.15 26.64 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.903 1.281 . . . . 0.0 110.048 -174.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.16 -176.61 4.0 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.027 1.731 . . . . 0.0 110.27 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 pt 35.59 75.22 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 127.256 2.223 . . . . 0.0 114.494 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 64.83 93.47 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.398 2.279 . . . . 0.0 111.999 -173.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 93' ' ' ALA . 15.8 tt0 -55.5 -25.75 38.83 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.154 -0.966 . . . . 0.0 112.408 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -61.55 -54.37 43.95 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.961 1.255 . . . . 0.0 112.88 168.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -66.24 -46.19 78.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.231 0.612 . . . . 0.0 110.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -32.84 71.79 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.79 -51.39 62.5 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.246 0.93 . . . . 0.0 111.631 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.3 pt -72.06 -35.04 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.958 1.254 . . . . 0.0 111.987 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.02 -61.72 2.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.571 1.078 . . . . 0.0 110.632 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -70.33 -31.68 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 117.353 -1.308 . . . . 0.0 112.613 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.11 -45.19 57.55 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 120.06 1.3 . . . . 0.0 113.567 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.87 -38.11 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.885 1.342 . . . . 0.0 111.311 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -66.4 -40.61 89.72 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.122 -0.986 . . . . 0.0 111.014 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.733 -1.603 . . . . 0.0 113.093 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.16 -41.14 87.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 122.158 2.254 . . . . 0.0 111.406 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -45.89 90.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.901 0.88 . . . . 0.0 111.322 171.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.14 -33.95 76.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.874 0.87 . . . . 0.0 113.045 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -19.68 65.45 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.713 1.605 . . . . 0.0 112.565 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.515 ' HA ' HD23 ' A' ' 40' ' ' LEU . 75.1 mt-30 -55.39 -23.03 22.44 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.605 0.762 . . . . 0.0 113.028 165.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -77.19 -27.07 53.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.312 1.045 . . . . 0.0 112.932 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -27.28 66.48 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.755 -1.215 . . . . 0.0 110.616 175.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 59' ' ' LEU . 3.1 mm? -56.63 -48.7 76.94 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.849 0.75 . . . . 0.0 110.379 168.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -66.31 -43.56 85.9 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.492 0.717 . . . . 0.0 112.497 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.13 -38.11 82.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.478 -0.764 . . . . 0.0 111.961 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -31.93 36.34 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.797 1.239 . . . . 0.0 110.97 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -31.18 52.93 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.709 1.595 . . . . 0.0 112.351 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -65.34 -25.7 67.71 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -42.28 12.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.81 1.244 . . . . 0.0 112.771 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -95.63 21.75 7.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.903 1.281 . . . . 0.0 113.74 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 p -55.98 83.81 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.246 2.218 . . . . 0.0 114.818 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -136.91 -83.09 0.36 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.098 1.759 . . . . 0.0 111.399 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -145.19 -52.78 0.28 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.299 1.44 . . . . 0.0 112.096 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.09 -11.17 1.01 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -57.54 -23.0 47.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.288 1.435 . . . . 0.0 114.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.15 -9.23 13.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.962 1.705 . . . . 0.0 112.398 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -111.38 -43.76 3.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.189 -0.944 . . . . 0.0 112.731 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 tp -71.53 -31.09 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.03 -1.044 . . . . 0.0 111.285 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.455 ' HA ' HD12 ' A' ' 40' ' ' LEU . 12.2 tt -52.21 -37.77 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.489 0.716 . . . . 0.0 111.091 166.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -81.74 -39.63 23.9 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.444 1.097 . . . . 0.0 113.183 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.63 -45.92 64.3 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.232 0.924 . . . . 0.0 112.672 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.647 HD22 HD21 ' A' ' 40' ' ' LEU . 3.8 tt -66.31 -41.91 89.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.984 171.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.35 -34.77 72.79 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.98 1.264 . . . . 0.0 112.478 172.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.36 -45.46 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.864 0.865 . . . . 0.0 110.747 170.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.58 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.997 0.817 . . . . 0.0 112.915 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.0 t -64.04 -49.25 73.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.306 1.843 . . . . 0.0 112.215 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.75 -33.84 74.6 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.007 -1.058 . . . . 0.0 112.569 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 ttt -68.15 -45.12 74.42 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tp -69.43 -30.72 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.139 0.881 . . . . 0.0 111.696 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.24 -32.97 68.84 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.499 1.045 . . . . 0.0 112.952 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.53 -32.71 71.45 Favored Glycine 0 CA--C 1.54 1.644 0 O-C-N 120.871 -1.143 . . . . 0.0 113.539 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.93 74.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.514 -0.992 . . . . 0.0 113.189 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.61 -31.86 73.26 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.168 -0.957 . . . . 0.0 112.806 171.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.18 -24.14 76.79 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.945 1.259 . . . . 0.0 113.754 172.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.8 -34.5 52.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.635 1.218 . . . . 0.0 112.187 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -34.72 73.14 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.294 -0.879 . . . . 0.0 113.038 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -27.38 68.43 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.938 -1.101 . . . . 0.0 112.893 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -69.39 -28.98 66.65 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.317 1.447 . . . . 0.0 112.566 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -80.28 -31.75 38.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.429 0.691 . . . . 0.0 112.355 169.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.61 -24.67 64.0 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 119.392 0.996 . . . . 0.0 112.82 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -63.92 -31.42 72.6 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 168.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -77.23 -27.99 53.55 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.559 1.144 . . . . 0.0 112.187 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.9 p -130.69 68.69 1.47 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.275 1.83 . . . . 0.0 110.607 -175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -53.6 166.43 0.31 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.133 1.373 . . . . 0.0 113.476 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.11 50.58 0.21 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.835 1.654 . . . . 0.0 113.915 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -117.13 -61.45 1.71 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.88 2.072 . . . . 0.0 109.469 -167.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 85' ' ' LEU . 1.9 pp -75.7 -24.14 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.576 0.751 . . . . 0.0 112.493 165.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -60.95 -24.47 66.09 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.424 1.09 . . . . 0.0 112.654 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.84 -34.1 71.18 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.162 0.985 . . . . 0.0 113.449 172.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.17 -45.2 6.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.379 1.472 . . . . 0.0 110.531 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.79 -25.68 60.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.706 176.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 28.9 m-20 -40.96 -32.9 0.26 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.898 1.679 . . . . 0.0 114.679 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -52.59 -26.47 13.52 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 172.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.68 -33.11 2.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.526 1.53 . . . . 0.0 111.922 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.18 -42.03 60.51 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.571 1.548 . . . . 0.0 112.202 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -63.22 -29.85 71.11 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.454 -0.779 . . . . 0.0 111.145 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -82.37 -29.42 30.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.063 1.345 . . . . 0.0 113.324 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.31 -45.25 48.65 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.914 -1.116 . . . . 0.0 109.515 175.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.59 -30.9 69.75 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.322 169.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 p -60.15 -39.75 87.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.459 1.936 . . . . 0.0 112.278 169.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -31.03 69.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 116.12 -1.895 . . . . 0.0 112.459 168.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.4 mm -61.82 -46.91 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 121.873 2.124 . . . . 0.0 112.154 172.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.02 93.16 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 122.14 2.245 . . . . 0.0 112.568 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.07 -40.91 71.32 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.002 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -62.39 -41.42 98.63 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 125.704 1.602 . . . . 0.0 112.023 169.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.32 -43.32 83.23 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.534 1.515 . . . . 0.0 111.207 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.24 -54.82 14.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.655 0.782 . . . . 0.0 112.261 168.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.0 -3.47 10.15 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 119.845 -1.784 . . . . 0.0 114.498 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.1 -69.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 126.773 2.029 . . . . 0.0 107.699 160.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.574 HG23 HD21 ' A' ' 59' ' ' LEU . 1.2 m -76.93 -48.12 19.08 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -59.56 -38.18 80.42 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.165 -1.584 . . . . 0.0 112.21 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -80.07 -42.26 24.02 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.692 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.84 -37.97 60.82 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.907 -1.52 . . . . 0.0 110.729 166.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.88 -51.9 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.946 1.248 . . . . 0.0 112.267 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -73.92 -16.92 61.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -11.09 56.82 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.26 1.824 . . . . 0.0 113.732 171.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.508 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 37.7 mt -54.81 135.07 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.916 1.286 . . . . 0.0 110.259 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -97.96 161.62 13.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.198 1.399 . . . . 0.0 112.09 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.0 p -96.29 152.25 18.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.576 1.951 . . . . 0.0 111.494 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.263 1.425 . . . . 0.0 112.049 -177.593 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 119.252 -0.404 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -174.43 147.03 1.1 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 126.576 1.951 . . . . 0.0 111.53 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -161.32 135.38 6.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.073 1.749 . . . . 0.0 111.883 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -163.9 147.52 9.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.462 1.905 . . . . 0.0 111.67 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -90.35 111.36 22.55 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.1 0.96 . . . . 0.0 110.253 170.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 140.98 58.03 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.03 0.532 . . . . 0.0 111.946 175.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -145.68 179.65 7.3 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.453 1.901 . . . . 0.0 110.227 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 62.79 111.32 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.139 2.176 . . . . 0.0 115.053 -175.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -154.6 169.83 22.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.607 1.963 . . . . 0.0 111.774 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t0 66.35 174.67 0.24 Allowed 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 127.09 2.156 . . . . 0.0 113.5 -172.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -140.13 43.98 1.91 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.8 2.04 . . . . 0.0 111.361 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tt -151.21 131.7 13.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.685 1.994 . . . . 0.0 108.904 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.66 -63.38 1.28 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.602 1.161 . . . . 0.0 110.788 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 55.68 121.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 128.892 2.877 . . . . 0.0 114.018 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 52.27 107.66 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.998 2.119 . . . . 0.0 113.127 -175.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.08 -32.18 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 119.614 -1.929 . . . . 0.0 114.167 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.94 76.04 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 170.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -63.06 -50.19 71.58 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.41 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -44.42 15.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.883 1.22 . . . . 0.0 112.008 169.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -52.8 62.17 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.506 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.5 -31.78 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.706 1.139 . . . . 0.0 113.023 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.34 -55.85 7.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.815 1.646 . . . . 0.0 111.393 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.25 -35.1 63.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 117.52 -1.228 . . . . 0.0 110.934 173.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.84 -52.77 50.15 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 118.218 -1.324 . . . . 0.0 113.672 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.65 -33.02 74.69 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.239 2.019 . . . . 0.0 112.802 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -49.19 46.97 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.556 -0.715 . . . . 0.0 111.753 175.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -65.67 -20.04 66.14 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 116.957 -1.496 . . . . 0.0 112.435 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -41.6 75.5 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 121.383 1.901 . . . . 0.0 111.988 174.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.41 -37.96 77.7 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.577 -0.702 . . . . 0.0 112.414 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.71 -25.75 64.93 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.79 -1.194 . . . . 0.0 113.83 172.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 120.303 -1.498 . . . . 0.0 109.813 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.11 -24.87 68.1 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.588 1.555 . . . . 0.0 112.427 165.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -82.78 -27.11 31.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.42 1.088 . . . . 0.0 112.465 170.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -64.05 -26.77 68.7 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.24 -1.538 . . . . 0.0 112.974 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.31 -33.83 54.96 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.719 -0.613 . . . . 0.0 112.014 166.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.43 -41.36 61.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.388 1.075 . . . . 0.0 112.703 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.98 -35.28 78.03 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.602 1.092 . . . . 0.0 111.779 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -42.0 66.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.432 1.493 . . . . 0.0 110.929 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -26.29 33.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.418 1.087 . . . . 0.0 113.013 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.78 -26.26 60.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.977 0.911 . . . . 0.0 113.422 173.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -88.1 -46.3 9.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.923 1.289 . . . . 0.0 112.495 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 20.91 4.72 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.826 1.25 . . . . 0.0 113.597 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -55.88 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.949 2.1 . . . . 0.0 112.778 -174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -146.92 -76.82 0.18 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.901 1.68 . . . . 0.0 112.671 -173.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -145.07 -54.34 0.3 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.302 1.441 . . . . 0.0 111.533 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.79 -7.05 4.28 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -50.9 -27.51 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.119 1.768 . . . . 0.0 114.206 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -114.76 8.37 16.1 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.838 1.255 . . . . 0.0 113.123 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -124.91 -50.09 1.72 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.6 1.56 . . . . 0.0 112.109 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.83 -24.58 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 121.724 -0.61 . . . . 0.0 112.02 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.7 -42.39 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.641 -0.662 . . . . 0.0 111.01 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.73 -41.69 44.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.393 1.077 . . . . 0.0 111.881 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.45 -46.53 88.12 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.853 0.751 . . . . 0.0 112.284 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.1 tp -73.19 -37.69 66.4 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.82 -39.65 65.71 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.914 1.234 . . . . 0.0 112.363 166.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -45.3 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 119.101 0.864 . . . . 0.0 111.424 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -30.85 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.865 0.757 . . . . 0.0 112.67 175.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.43 -53.34 44.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.489 1.916 . . . . 0.0 110.825 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -28.75 69.85 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.912 -1.117 . . . . 0.0 113.199 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 ttt -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.097 -1.002 . . . . 0.0 112.188 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -25.36 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 123.237 0.615 . . . . 0.0 112.151 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.49 -48.77 76.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.478 1.111 . . . . 0.0 111.044 164.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.86 -41.64 84.26 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.679 0.657 . . . . 0.0 112.626 175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.74 74.71 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -63.12 -47.72 81.6 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.979 0.912 . . . . 0.0 111.655 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.12 98.0 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 123.864 0.745 . . . . 0.0 112.407 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.588 1.194 . . . . 0.0 112.73 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -45.61 92.08 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.97 0.804 . . . . 0.0 112.151 176.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.36 -34.43 77.29 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.706 1.139 . . . . 0.0 112.746 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -69.03 -40.55 78.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.657 1.183 . . . . 0.0 112.71 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -65.77 -36.9 84.85 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.966 0.803 . . . . 0.0 111.77 167.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.85 -40.3 92.35 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.271 0.941 . . . . 0.0 112.524 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -56.71 -39.17 73.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.649 1.179 . . . . 0.0 112.924 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -74.75 -30.88 61.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.325 1.05 . . . . 0.0 113.112 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -100.31 31.47 3.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.891 1.676 . . . . 0.0 111.553 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.07 78.78 4.06 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.262 -1.524 . . . . 0.0 110.568 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.41 176.5 7.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.465 1.106 . . . . 0.0 112.529 -174.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.07 -34.59 66.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.462 1.105 . . . . 0.0 113.898 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 85' ' ' LEU . 1.8 pp -60.76 -27.09 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.927 -1.108 . . . . 0.0 113.613 173.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 84' ' ' ILE . 2.8 tp -70.96 -21.36 62.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.575 1.15 . . . . 0.0 112.324 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.07 -25.48 68.13 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.044 0.838 . . . . 0.0 112.655 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.98 -46.42 6.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.185 0.994 . . . . 0.0 111.625 171.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.42 -19.85 16.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -34.38 1.91 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.976 1.31 . . . . 0.0 113.467 171.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.34 -30.39 39.12 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -120.38 -38.5 2.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.635 1.174 . . . . 0.0 113.682 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.23 -48.3 68.25 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.682 1.583 . . . . 0.0 112.699 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.23 76.53 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.55 -0.719 . . . . 0.0 110.817 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.36 -26.63 65.68 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 169.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -47.08 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.756 1.162 . . . . 0.0 111.303 167.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.26 -40.49 96.1 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.602 1.547 . . . . 0.0 112.111 173.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 t -52.77 -44.93 66.88 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.549 0.739 . . . . 0.0 111.558 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -60.13 -40.6 90.36 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 115.969 -1.967 . . . . 0.0 113.388 167.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.96 -53.5 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 123.104 2.683 . . . . 0.0 111.636 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -43.02 98.3 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.834 1.652 . . . . 0.0 111.329 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -32.38 73.88 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.107 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -72.5 -38.13 68.23 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.7 2.0 . . . . 0.0 112.05 173.014 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -63.69 -47.16 82.3 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 120.719 1.599 . . . . 0.0 110.943 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.55 -58.98 6.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 110.9 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.416 ' HG3' ' HA ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -69.72 -11.22 60.68 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 119.172 -2.205 . . . . 0.0 114.772 177.715 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.53 -70.24 0.38 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.68 1.582 . . . . 0.0 108.506 160.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.7 m -88.18 -33.96 17.99 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.196 1.362 . . . . 0.0 114.669 -166.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.19 87.07 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.927 1.694 . . . . 0.0 111.703 166.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -75.6 -38.32 59.13 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.159 -1.588 . . . . 0.0 111.395 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -56.73 -37.34 70.84 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.402 -1.285 . . . . 0.0 110.597 165.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.454 ' HA ' HD12 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -50.23 -49.92 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 120.67 1.577 . . . . 0.0 112.422 170.459 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mppt? -79.23 -10.05 59.72 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -96.04 -13.28 23.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.082 1.753 . . . . 0.0 113.956 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 111' ' ' VAL . 8.4 mt -53.81 137.13 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.262 1.425 . . . . 0.0 111.352 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -90.86 152.95 20.55 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 124.822 1.249 . . . . 0.0 113.246 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.7 p -88.46 155.46 19.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.105 1.762 . . . . 0.0 110.997 165.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 124.922 1.289 . . . . 0.0 112.089 -174.162 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.84 104.08 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 128.297 2.639 . . . . 0.0 114.124 -173.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.08 108.58 2.38 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.661 1.184 . . . . 0.0 110.828 171.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -152.27 155.06 36.95 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.668 1.187 . . . . 0.0 112.319 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -66.44 147.5 53.21 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.289 0.566 . . . . 0.0 110.414 168.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -146.98 153.54 40.18 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.426 1.09 . . . . 0.0 111.126 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -155.24 162.34 40.93 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.102 1.361 . . . . 0.0 110.86 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -145.54 161.39 39.88 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.269 1.428 . . . . 0.0 110.924 170.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -153.32 126.31 8.42 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.175 1.79 . . . . 0.0 109.101 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.92 86.46 0.71 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.764 0.826 . . . . 0.0 111.013 173.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -139.42 146.43 40.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.5 1.12 . . . . 0.0 111.307 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.02 157.43 41.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.835 1.654 . . . . 0.0 110.07 -178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.96 178.57 9.79 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.109 1.363 . . . . 0.0 111.553 178.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -55.93 -62.08 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.24 1.416 . . . . 0.0 112.909 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.88 107.34 19.36 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 174.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.36 -24.77 63.66 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 119.037 -0.506 . . . . 0.0 112.228 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.13 -48.2 45.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.86 2.064 . . . . 0.0 115.745 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -66.67 -42.47 86.49 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -56.04 -36.59 68.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.814 0.846 . . . . 0.0 112.842 166.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.88 69.13 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.648 -1.283 . . . . 0.0 112.366 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -72.37 -36.02 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 120.723 1.601 . . . . 0.0 110.711 171.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -63.49 -62.87 1.39 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.183 -1.573 . . . . 0.0 111.093 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -40.47 97.08 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 124.616 1.166 . . . . 0.0 110.51 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.78 56.19 Favored Glycine 0 N--CA 1.467 0.703 0 CA-C-N 120.826 1.648 . . . . 0.0 113.503 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.21 -38.88 89.02 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.586 1.193 . . . . 0.0 112.187 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -65.25 -42.29 93.45 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.219 0.918 . . . . 0.0 112.783 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -81.09 -19.42 43.69 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 124.856 1.262 . . . . 0.0 112.226 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.66 -42.2 98.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.449 1.477 . . . . 0.0 111.523 166.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.96 -36.03 82.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.467 0.707 . . . . 0.0 111.372 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.149 0.98 . . . . 0.0 112.626 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.676 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -61.81 -26.73 68.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.979 1.712 . . . . 0.0 111.752 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.9 -24.85 39.87 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.454 1.102 . . . . 0.0 113.458 169.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -80.89 -25.32 37.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.858 -1.151 . . . . 0.0 112.589 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.54 -32.57 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.811 -1.181 . . . . 0.0 110.938 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.14 -38.74 71.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.225 0.61 . . . . 0.0 111.585 170.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.53 -42.96 64.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.172 0.989 . . . . 0.0 112.043 174.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -61.25 -36.48 80.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.096 1.317 . . . . 0.0 112.451 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -36.17 64.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.787 1.635 . . . . 0.0 112.171 172.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -29.87 34.19 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.54 1.518 . . . . 0.0 112.808 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.75 -27.87 62.28 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.471 1.108 . . . . 0.0 113.901 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -87.58 -45.47 10.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.573 1.149 . . . . 0.0 112.425 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HE2' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -87.03 11.46 13.64 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.451 1.101 . . . . 0.0 113.447 174.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.9 t -45.92 101.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.603 1.961 . . . . 0.0 113.459 -174.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -155.99 -72.74 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.883 1.273 . . . . 0.0 112.26 -171.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -146.64 -51.6 0.22 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.265 1.826 . . . . 0.0 113.09 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.01 -10.27 4.01 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 16.93 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 C-N-CA 130.591 3.556 . . . . 0.0 116.659 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -159.03 -13.49 0.06 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 129.369 3.068 . . . . 0.0 112.021 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -114.81 -46.76 2.92 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.185 1.794 . . . . 0.0 111.377 -171.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 tp -71.26 -27.0 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.37 -0.831 . . . . 0.0 111.74 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 tt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.487 0.715 . . . . 0.0 110.74 166.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -80.98 -35.28 32.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.124 0.97 . . . . 0.0 112.518 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.85 -47.57 65.63 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.32 0.963 . . . . 0.0 112.489 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -38.76 85.71 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.557 -0.714 . . . . 0.0 110.211 174.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -60.21 -36.03 76.75 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.696 1.134 . . . . 0.0 112.409 169.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -48.56 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.196 0.907 . . . . 0.0 110.92 174.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -74.76 -31.59 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.102 0.864 . . . . 0.0 111.782 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.12 -51.83 66.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.02 1.728 . . . . 0.0 111.399 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.92 78.64 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.774 -1.204 . . . . 0.0 112.736 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttp -67.7 -43.23 80.6 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.487 -0.758 . . . . 0.0 112.089 174.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -29.87 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.911 0.885 . . . . 0.0 112.197 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.91 -47.28 68.09 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.722 1.146 . . . . 0.0 111.188 165.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.08 -39.85 98.16 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.515 -0.74 . . . . 0.0 112.976 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.56 88.03 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.33 1.065 . . . . 0.0 113.228 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -65.52 -47.9 74.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.848 0.859 . . . . 0.0 110.891 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.4 59.78 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.939 1.257 . . . . 0.0 112.633 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.2 73.78 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 118.584 1.192 . . . . 0.0 113.157 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -48.37 79.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.964 0.802 . . . . 0.0 112.157 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -35.59 80.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.068 173.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -60.06 -47.39 86.08 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.212 1.823 . . . . 0.0 113.789 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.62 -41.53 86.1 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.058 0.543 . . . . 0.0 111.704 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.18 -35.91 66.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.297 1.039 . . . . 0.0 113.404 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -63.42 -30.42 71.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 119.971 -1.706 . . . . 0.0 112.581 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.46 -14.26 56.09 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.844 1.658 . . . . 0.0 113.83 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.9 p -129.16 36.84 4.12 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.587 2.355 . . . . 0.0 111.397 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -75.16 76.91 2.31 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.902 1.681 . . . . 0.0 111.946 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 -165.21 0.98 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.353 1.061 . . . . 0.0 111.047 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -73.6 -34.43 65.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.321 1.048 . . . . 0.0 112.972 -177.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.81 -26.82 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.865 0.866 . . . . 0.0 112.985 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -30.35 70.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.437 1.095 . . . . 0.0 112.256 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -67.24 -33.19 74.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.065 0.848 . . . . 0.0 112.275 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -84.16 -40.22 18.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.663 1.185 . . . . 0.0 111.86 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -30.69 71.76 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.596 0.758 . . . . 0.0 112.225 173.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 24.6 m-20 -48.01 -31.37 5.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.441 1.496 . . . . 0.0 113.35 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -52.1 -27.96 15.94 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -120.54 -33.52 3.82 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.066 1.346 . . . . 0.0 111.738 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -51.31 17.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.246 1.418 . . . . 0.0 112.005 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -61.89 -41.74 98.24 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.972 -1.08 . . . . 0.0 110.315 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -66.27 -27.51 68.0 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.257 -0.902 . . . . 0.0 112.693 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -47.59 85.33 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.125 0.875 . . . . 0.0 111.013 167.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.63 -38.88 92.52 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.547 1.067 . . . . 0.0 111.706 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.6 t -52.61 -43.0 65.08 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 120.092 1.314 . . . . 0.0 111.885 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -65.8 -32.59 74.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.033 -1.461 . . . . 0.0 113.184 171.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.3 mm -54.93 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 121.071 1.76 . . . . 0.0 110.798 172.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -38.52 79.66 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.394 2.361 . . . . 0.0 112.942 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.73 -41.99 82.58 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.8 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -63.83 -40.55 96.86 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 126.256 1.823 . . . . 0.0 111.738 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.42 -42.1 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.957 2.162 . . . . 0.0 111.827 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -56.45 9.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.52 1.128 . . . . 0.0 110.209 168.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -69.14 2.12 3.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.992 -1.692 . . . . 0.0 114.991 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.26 -70.45 0.71 Allowed 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 128.526 2.731 . . . . 0.0 107.079 165.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.676 HG22 HD12 ' A' ' 36' ' ' LEU . 30.5 m -80.26 -38.68 30.43 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.286 1.403 . . . . 0.0 113.451 -170.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.51 78.25 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.161 -1.587 . . . . 0.0 111.003 173.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -74.22 -42.52 59.63 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.866 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -54.29 -39.32 66.83 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 116.679 -1.629 . . . . 0.0 110.406 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.47 -53.79 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.442 1.473 . . . . 0.0 112.312 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -21.62 63.19 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 174.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.39 -13.81 57.88 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.835 1.654 . . . . 0.0 113.848 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.452 HG22 ' HE2' ' A' ' 47' ' ' LYS . 29.3 mt -52.56 129.62 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.921 1.288 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -83.07 160.07 22.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.595 1.188 . . . . 0.0 113.23 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.3 p -106.91 146.45 30.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.253 1.821 . . . . 0.0 110.234 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.39 0 C-N-CA 124.957 1.303 . . . . 0.0 112.127 -171.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.6 -170.51 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 127.087 2.155 . . . . 0.0 114.631 -170.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -153.16 170.39 20.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.024 1.73 . . . . 0.0 110.996 172.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -128.35 48.78 2.25 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.312 1.845 . . . . 0.0 111.873 -172.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -135.66 102.03 4.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.321 1.848 . . . . 0.0 111.275 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -138.34 -77.94 0.36 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.279 1.431 . . . . 0.0 110.453 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -162.39 166.73 24.73 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.823 2.049 . . . . 0.0 109.902 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -155.88 144.73 20.44 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.397 1.079 . . . . 0.0 111.067 167.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -146.85 153.0 39.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.006 1.722 . . . . 0.0 111.261 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -157.59 151.42 24.19 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.553 1.541 . . . . 0.0 111.143 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -151.24 151.4 31.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.115 1.366 . . . . 0.0 111.053 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -160.36 -46.58 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.044 1.338 . . . . 0.0 113.151 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.37 155.69 28.1 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 118.471 0.578 . . . . 0.0 112.339 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 19' ' ' ILE . 3.3 mp -80.55 53.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 126.586 1.954 . . . . 0.0 111.452 -170.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -164.93 50.44 0.11 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.161 1.384 . . . . 0.0 111.548 -168.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.48 -30.26 12.35 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.278 -1.514 . . . . 0.0 113.173 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.65 63.17 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.924 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.58 -38.93 77.56 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.475 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -37.03 71.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 120.611 1.55 . . . . 0.0 112.858 171.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.29 -51.1 56.82 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.9 -34.68 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 119.99 1.268 . . . . 0.0 111.46 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.91 -59.81 3.77 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 120.737 -1.227 . . . . 0.0 109.684 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.73 -31.16 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 117.1 -1.428 . . . . 0.0 111.071 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.51 -52.1 22.96 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.911 1.687 . . . . 0.0 113.764 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.74 -34.22 77.69 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.844 -1.386 . . . . 0.0 112.936 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -72.27 -37.23 69.09 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.237 -1.539 . . . . 0.0 112.936 168.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.97 -24.31 66.76 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.745 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 121.956 2.162 . . . . 0.0 111.762 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.7 -43.02 76.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 112.163 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -70.56 -29.96 66.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.579 1.152 . . . . 0.0 113.378 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD23 ' HB ' ' A' ' 107' ' ' THR . 4.7 tp -76.77 -30.52 56.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.015 2.126 . . . . 0.0 111.759 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.76 -24.92 64.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 113.308 164.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -82.1 -28.17 32.46 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.711 1.142 . . . . 0.0 112.465 169.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -64.29 -27.4 69.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.924 -1.11 . . . . 0.0 112.636 173.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 HD23 ' A' ' 59' ' ' LEU . 4.5 mm? -51.83 -59.89 3.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.08 0.552 . . . . 0.0 110.326 165.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.93 -31.55 69.96 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -51.05 69.73 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.841 1.656 . . . . 0.0 112.101 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -32.03 32.19 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.137 -0.352 . . . . 0.0 111.692 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -57.24 -29.35 63.71 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 119.753 -1.842 . . . . 0.0 111.773 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.67 -17.75 62.22 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.93 -42.49 8.27 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.49 1.116 . . . . 0.0 111.825 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 13.42 8.96 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.364 1.466 . . . . 0.0 113.658 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 p -50.89 94.03 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.37 2.668 . . . . 0.0 112.8 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -138.73 -69.22 0.43 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.793 1.637 . . . . 0.0 111.174 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -148.95 -53.49 0.17 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.182 1.793 . . . . 0.0 111.848 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.03 -2.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -29.82 41.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.931 1.692 . . . . 0.0 113.37 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -111.29 7.98 21.26 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -119.93 -47.31 2.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.397 1.879 . . . . 0.0 111.321 -171.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.86 -27.11 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.592 0.757 . . . . 0.0 111.74 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tt -54.51 -43.92 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.641 1.176 . . . . 0.0 110.545 163.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -76.21 -37.23 58.04 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.865 0.757 . . . . 0.0 112.323 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -66.89 -47.1 72.86 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.25 0.932 . . . . 0.0 112.493 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 40' ' ' LEU . 27.9 tp -68.34 -38.33 81.4 Favored 'General case' 0 C--O 1.221 -0.436 0 O-C-N 121.922 -0.486 . . . . 0.0 111.222 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.54 -36.27 78.02 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.16 -0.963 . . . . 0.0 112.836 167.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -58.66 -46.32 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 119.343 0.974 . . . . 0.0 110.869 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.18 -25.26 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.909 0.777 . . . . 0.0 112.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -37.47 63.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.029 1.286 . . . . 0.0 113.244 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.04 -29.2 57.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.75 0.82 . . . . 0.0 112.348 171.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.9 ttt -73.41 -40.39 64.31 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.098 -1.001 . . . . 0.0 111.976 172.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tp -69.25 -31.1 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.51 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.57 -45.13 66.32 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.827 1.649 . . . . 0.0 111.862 165.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.9 -38.25 88.03 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 120.885 -1.134 . . . . 0.0 113.332 176.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.65 56.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.009 1.324 . . . . 0.0 113.073 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.19 -44.73 95.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.246 -0.909 . . . . 0.0 111.23 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.51 -45.49 89.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.3 1.905 . . . . 0.0 112.625 171.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.76 97.94 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.488 1.644 . . . . 0.0 112.931 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -45.23 81.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 112.768 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.82 -35.84 75.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.975 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -42.69 99.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.155 1.343 . . . . 0.0 113.169 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -64.39 -42.13 96.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.862 0.465 . . . . 0.0 111.345 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -36.5 84.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.252 1.021 . . . . 0.0 112.486 169.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -32.73 74.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.19 -1.569 . . . . 0.0 113.054 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -61.1 -19.06 61.02 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.626 1.17 . . . . 0.0 114.018 167.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -126.89 20.48 7.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.14 2.176 . . . . 0.0 113.351 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.33 72.53 0.08 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 127.593 2.357 . . . . 0.0 111.736 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.44 -173.75 2.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.725 1.61 . . . . 0.0 111.23 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -63.98 -31.9 73.25 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -58.14 -22.95 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -26.91 68.39 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.72 1.608 . . . . 0.0 113.414 175.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.17 -34.44 63.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.907 0.883 . . . . 0.0 112.347 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.48 -46.25 33.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.554 0.742 . . . . 0.0 110.428 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -29.28 69.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.228 1.011 . . . . 0.0 113.217 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -50.21 -28.11 7.03 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.734 1.614 . . . . 0.0 113.217 176.249 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -48.33 -32.86 8.02 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 171.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.48 -35.89 3.31 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.004 2.121 . . . . 0.0 113.251 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.0 -36.5 69.77 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.353 -1.467 . . . . 0.0 112.752 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -63.34 -30.29 71.45 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 120.492 -1.38 . . . . 0.0 111.764 171.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -80.29 -36.83 33.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.339 1.056 . . . . 0.0 112.151 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -40.69 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.7 -36.6 76.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.536 169.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.1 p -62.4 -33.68 75.24 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 122.641 2.473 . . . . 0.0 112.932 170.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.89 -31.69 72.0 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 116.23 -1.843 . . . . 0.0 112.403 164.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mt -63.63 -46.1 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 123.197 2.726 . . . . 0.0 113.008 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.08 92.16 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 121.019 1.736 . . . . 0.0 111.635 176.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.8 tp -63.51 -37.77 88.58 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.25 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.51 -46.18 84.08 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -39.3 94.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 120.997 1.726 . . . . 0.0 112.242 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.51 -62.18 2.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.523 1.529 . . . . 0.0 110.05 166.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -70.46 -0.21 7.93 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.421 -2.049 . . . . 0.0 115.212 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.71 -67.56 0.82 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.397 2.279 . . . . 0.0 107.554 162.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.484 ' HB ' HD23 ' A' ' 36' ' ' LEU . 16.9 m -92.16 -31.75 15.36 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -167.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -42.33 98.04 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.73 1.605 . . . . 0.0 110.696 165.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -80.53 -38.29 29.98 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.344 -0.848 . . . . 0.0 110.513 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -56.62 -35.71 68.62 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 116.287 -1.816 . . . . 0.0 111.138 163.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.74 -50.96 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 121.11 1.777 . . . . 0.0 111.747 172.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -76.45 -13.03 60.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.32 -10.6 37.72 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.404 1.881 . . . . 0.0 113.866 173.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 mt -51.94 132.98 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.713 1.605 . . . . 0.0 110.107 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -98.59 148.63 23.6 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 122.3 1.048 . . . . 0.0 111.463 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.2 p -90.69 146.37 24.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.71 1.604 . . . . 0.0 111.42 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.847 1.659 . . . . 0.0 112.692 -170.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 119.793 -0.146 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -152.63 159.54 43.21 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.718 2.407 . . . . 0.0 111.186 172.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.01 146.84 27.23 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.67 1.588 . . . . 0.0 110.581 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.13 175.32 11.85 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 125.936 1.694 . . . . 0.0 110.777 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -104.01 135.56 45.3 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.257 1.023 . . . . 0.0 109.878 170.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -66.33 145.17 56.02 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.276 -0.89 . . . . 0.0 109.915 167.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -136.0 166.65 22.85 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.337 1.455 . . . . 0.0 109.622 173.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -148.4 -179.69 7.14 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.131 0.972 . . . . 0.0 110.004 169.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -135.26 -52.38 0.77 Allowed 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 123.803 0.841 . . . . 0.0 110.897 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.0 t0 54.74 147.28 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.481 1.913 . . . . 0.0 112.723 -163.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 168.49 126.65 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.019 2.128 . . . . 0.0 111.187 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -162.04 74.27 0.43 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.685 1.194 . . . . 0.0 111.386 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mt 48.11 63.29 2.1 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.105 1.762 . . . . 0.0 114.603 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 tp -145.59 50.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 124.311 1.044 . . . . 0.0 112.661 -172.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.57 89.09 0.05 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.406 1.482 . . . . 0.0 111.761 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -52.49 -25.89 11.46 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.146 -1.596 . . . . 0.0 113.212 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -60.29 4.06 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 167.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.37 -43.45 98.8 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.358 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.28 -33.48 74.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.224 0.92 . . . . 0.0 112.728 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.78 12.61 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.478 172.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.61 -36.57 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 120.041 1.291 . . . . 0.0 111.779 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.15 -55.7 29.28 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 119.62 -1.925 . . . . 0.0 111.316 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -50.12 68.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.227 175.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.74 -50.37 68.31 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 125.6 1.572 . . . . 0.0 114.378 -175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.54 -36.34 78.2 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.676 1.238 . . . . 0.0 111.812 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -72.8 -34.15 66.7 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.654 -0.654 . . . . 0.0 111.792 171.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -22.53 66.6 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 116.436 -1.745 . . . . 0.0 111.753 170.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.23 -21.94 65.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.878 2.126 . . . . 0.0 112.674 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -25.11 17.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 169.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -40.89 34.35 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 111.971 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.905 HD13 HG21 ' A' ' 107' ' ' THR . 2.7 pp -56.67 -21.72 29.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.045 1.338 . . . . 0.0 113.671 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.482 ' N ' HD12 ' A' ' 36' ' ' LEU . 69.3 mt-30 -59.17 -26.18 64.57 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.269 1.028 . . . . 0.0 111.394 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -69.31 -38.58 78.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.114 0.966 . . . . 0.0 113.011 168.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -66.06 -30.94 71.56 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.718 -1.239 . . . . 0.0 112.577 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.611 HD11 HD23 ' A' ' 59' ' ' LEU . 4.4 mm? -57.51 -46.59 83.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.802 0.728 . . . . 0.0 111.011 168.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.9 -41.2 95.8 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.451 1.023 . . . . 0.0 112.983 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -40.83 81.26 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.046 -1.034 . . . . 0.0 111.913 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -75.5 -35.88 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.064 1.345 . . . . 0.0 111.442 172.714 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -31.43 60.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.028 1.74 . . . . 0.0 112.045 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.7 -22.48 62.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.83 1.252 . . . . 0.0 113.43 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.65 -50.09 6.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.502 1.121 . . . . 0.0 111.72 173.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -81.42 13.72 2.84 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.698 1.199 . . . . 0.0 113.933 177.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.64 91.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.546 1.938 . . . . 0.0 113.194 -171.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -141.27 -65.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.251 1.42 . . . . 0.0 112.401 -170.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -143.99 -54.52 0.36 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.477 1.511 . . . . 0.0 111.059 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.38 11.18 2.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.11 -23.84 1.4 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.781 2.033 . . . . 0.0 115.662 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.05 8.08 7.32 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.39 1.076 . . . . 0.0 113.03 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -114.0 -41.58 3.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.7 tp -73.93 -29.45 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 119.735 1.152 . . . . 0.0 110.776 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.6 tt -51.61 -49.08 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.823 0.849 . . . . 0.0 109.95 164.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -69.99 -39.68 75.78 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.805 0.842 . . . . 0.0 113.091 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.33 -52.31 64.18 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.108 1.322 . . . . 0.0 111.76 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.611 HD23 HD11 ' A' ' 40' ' ' LEU . 41.0 tp -69.74 -35.3 74.85 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.469 -0.769 . . . . 0.0 112.105 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.3 -40.27 85.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.879 0.872 . . . . 0.0 112.91 166.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 t -61.14 -43.78 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -33.48 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.288 1.404 . . . . 0.0 112.768 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.26 79.57 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.756 1.162 . . . . 0.0 111.788 176.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.73 69.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.43 -1.419 . . . . 0.0 112.088 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.3 tpt -63.52 -45.98 88.13 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.404 0.681 . . . . 0.0 111.39 169.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -28.79 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 121.631 -0.668 . . . . 0.0 112.176 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -26.99 62.29 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.495 1.118 . . . . 0.0 112.352 170.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.11 -23.15 78.26 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 120.946 -1.096 . . . . 0.0 114.53 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.864 1.332 . . . . 0.0 112.261 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -24.54 66.08 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.341 -0.849 . . . . 0.0 112.476 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.7 67.2 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.088 0.852 . . . . 0.0 113.321 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.56 -33.56 58.51 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.109 0.955 . . . . 0.0 112.03 166.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -36.63 76.67 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.004 0.922 . . . . 0.0 112.282 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -27.75 64.72 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.392 -1.442 . . . . 0.0 113.325 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -42.64 68.49 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.081 1.752 . . . . 0.0 112.527 174.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.47 -35.67 80.04 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.845 -0.598 . . . . 0.0 111.018 170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -31.29 64.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -73.79 -30.04 62.52 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.07 0.948 . . . . 0.0 112.893 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -80.83 -30.41 35.76 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.246 1.418 . . . . 0.0 112.28 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.2 p -129.62 74.75 1.61 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.307 2.243 . . . . 0.0 109.828 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.45 168.09 0.42 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.073 0.949 . . . . 0.0 112.113 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.59 49.28 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.897 1.679 . . . . 0.0 114.38 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -120.4 -59.59 1.76 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.604 1.961 . . . . 0.0 111.339 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.33 -32.62 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.645 -0.66 . . . . 0.0 111.321 168.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -21.63 66.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.309 0.643 . . . . 0.0 112.173 -178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.8 -44.81 86.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.473 1.109 . . . . 0.0 113.038 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -35.58 28.06 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.354 0.524 . . . . 0.0 111.96 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -18.44 64.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.79 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.1 m-80 -44.52 -31.4 1.1 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.363 1.438 . . . . 0.0 113.171 170.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -51.73 -25.4 7.36 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -131.16 -30.83 1.71 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.289 1.436 . . . . 0.0 112.354 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.29 -43.3 61.23 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.211 1.404 . . . . 0.0 112.242 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -62.16 -32.88 73.54 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 120.587 -1.32 . . . . 0.0 110.989 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -74.85 -39.7 61.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.416 1.087 . . . . 0.0 112.119 175.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -41.46 75.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.586 1.085 . . . . 0.0 111.628 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.37 -34.14 70.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.34 -0.85 . . . . 0.0 111.513 171.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 100' ' ' LEU . 22.8 t -61.09 -28.18 68.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.878 1.672 . . . . 0.0 112.297 168.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.54 -31.64 69.96 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.635 -1.65 . . . . 0.0 112.777 165.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.71 -46.51 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.313 2.324 . . . . 0.0 112.239 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -67.37 -41.21 85.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.42 1.918 . . . . 0.0 111.75 177.155 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.56 -37.16 84.36 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.774 -0.579 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -62.83 -43.94 97.47 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-O 116.6 -1.667 . . . . 0.0 111.692 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.3 77.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 122.801 2.546 . . . . 0.0 112.473 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.65 -60.73 2.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.332 0.653 . . . . 0.0 111.207 166.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -66.59 -4.71 9.24 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 119.466 -2.021 . . . . 0.0 114.246 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.594 1.958 . . . . 0.0 108.075 165.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.905 HG21 HD13 ' A' ' 36' ' ' LEU . 15.5 m -91.68 -42.31 10.24 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -170.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.04 81.33 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 121.132 1.787 . . . . 0.0 111.74 167.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.64 -46.04 55.97 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.138 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -55.06 -34.83 63.9 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.962 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.461 ' HA ' HD12 ' A' ' 114' ' ' ILE . 1.2 t -53.0 -50.97 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 120.671 1.578 . . . . 0.0 111.206 174.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -75.8 -16.15 60.14 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.789 -1.194 . . . . 0.0 113.351 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.99 -19.76 33.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.788 1.635 . . . . 0.0 114.0 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 111' ' ' VAL . 16.7 mt -51.36 129.34 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 110.277 -175.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -91.35 154.87 18.91 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 122.101 0.953 . . . . 0.0 113.386 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.5 p -92.98 138.46 31.46 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 125.236 1.414 . . . . 0.0 110.796 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 . . . . . 0 C--O 1.255 1.344 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -170.229 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -156.83 -80.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.597 1.559 . . . . 0.0 110.145 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -160.07 135.42 8.14 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 128.27 2.628 . . . . 0.0 109.357 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -173.95 157.93 3.06 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 126.083 1.753 . . . . 0.0 109.769 172.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -62.03 160.05 13.25 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.954 0.883 . . . . 0.0 111.618 165.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -126.15 161.49 27.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.089 1.356 . . . . 0.0 110.617 172.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -134.3 158.34 44.02 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.404 1.482 . . . . 0.0 110.436 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -147.04 154.74 41.55 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.328 1.051 . . . . 0.0 110.785 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -158.76 155.81 28.65 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.812 1.645 . . . . 0.0 109.789 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -159.04 175.6 13.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.988 1.715 . . . . 0.0 110.745 175.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.04 175.01 11.02 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.559 1.144 . . . . 0.0 109.481 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -134.01 177.35 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.658 1.583 . . . . 0.0 110.23 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.98 172.19 6.98 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.387 1.475 . . . . 0.0 111.057 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mm 73.13 112.94 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 128.334 2.654 . . . . 0.0 111.152 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 56.78 62.93 2.09 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.854 0.862 . . . . 0.0 112.593 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -27.74 10.36 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.628 -1.295 . . . . 0.0 113.212 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.51 -55.7 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.833 0.742 . . . . 0.0 112.677 170.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.16 -38.5 88.23 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.256 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -61.13 -34.37 74.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.598 1.09 . . . . 0.0 113.465 171.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.82 68.19 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.253 0.933 . . . . 0.0 112.219 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.31 -40.4 77.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-N 119.602 1.092 . . . . 0.0 110.681 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.04 -59.46 5.05 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 121.468 1.94 . . . . 0.0 111.696 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -62.25 -43.27 99.2 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.686 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.462 ' O ' HD13 ' A' ' 33' ' ' LEU . . . -59.86 -56.94 21.98 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 119.991 1.269 . . . . 0.0 113.335 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.63 -35.44 77.9 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.786 1.634 . . . . 0.0 112.607 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -70.84 -44.04 67.28 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.065 -1.022 . . . . 0.0 111.606 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.47 -26.9 68.93 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-O 117.364 -1.303 . . . . 0.0 112.051 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 103' ' ' ASP . 3.5 mp -63.9 -32.12 73.53 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 121.824 2.102 . . . . 0.0 112.456 176.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.92 95.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.51 0.724 . . . . 0.0 110.882 165.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.63 -33.46 66.65 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.254 1.021 . . . . 0.0 113.21 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -63.01 -25.06 68.21 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.751 2.42 . . . . 0.0 110.634 178.183 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.73 -21.49 41.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.986 0.914 . . . . 0.0 113.418 167.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -78.39 -27.35 46.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.603 -1.311 . . . . 0.0 111.762 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -67.33 -27.8 67.44 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.863 0.865 . . . . 0.0 111.845 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.09 -57.28 12.81 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.29 -0.862 . . . . 0.0 108.822 165.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -39.81 77.54 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -44.51 93.7 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.212 -0.93 . . . . 0.0 112.894 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD12 HD12 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -80.41 -39.71 27.81 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.457 1.103 . . . . 0.0 109.976 177.815 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.62 -26.89 67.36 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.282 1.033 . . . . 0.0 112.108 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.48 -23.05 66.2 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 166.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -95.17 -43.59 8.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.357 1.063 . . . . 0.0 112.054 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 11.21 13.68 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.884 1.273 . . . . 0.0 113.703 175.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -44.18 86.26 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 129.257 3.023 . . . . 0.0 115.348 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -127.35 -59.76 1.22 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.12 1.368 . . . . 0.0 112.427 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.32 -53.04 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.916 1.287 . . . . 0.0 111.74 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mp -66.62 -0.28 2.76 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -51.2 -28.43 11.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.093 1.757 . . . . 0.0 114.186 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -120.36 12.69 11.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.548 1.139 . . . . 0.0 112.262 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -119.69 -49.98 2.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.932 1.693 . . . . 0.0 111.605 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.78 -25.11 25.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.72 -0.612 . . . . 0.0 111.875 174.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.29 -44.05 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.289 0.95 . . . . 0.0 110.703 163.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mmm-85 -81.54 -38.98 25.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.346 1.058 . . . . 0.0 112.609 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.08 -46.48 70.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.196 0.998 . . . . 0.0 112.03 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD23 HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -69.23 -42.1 76.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.517 174.264 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.0 -38.69 70.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.627 1.558 . . . . 0.0 112.739 170.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -46.58 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.28 -0.887 . . . . 0.0 110.832 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG12 HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -79.28 -28.44 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.664 0.665 . . . . 0.0 112.659 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.49 -45.32 72.65 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.112 1.765 . . . . 0.0 111.163 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.71 69.43 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.268 1.027 . . . . 0.0 112.674 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.3 ttt -71.17 -43.35 67.66 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.112 -0.993 . . . . 0.0 112.226 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 tp -68.4 -38.45 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.594 172.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.77 -47.53 50.93 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 111.469 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.25 -36.4 68.77 Favored Glycine 0 CA--C 1.54 1.597 0 O-C-N 120.293 -1.504 . . . . 0.0 114.223 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.41 64.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.405 1.082 . . . . 0.0 113.395 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -61.61 -44.18 97.48 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.257 -0.902 . . . . 0.0 111.518 168.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.29 -47.19 50.91 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.41 1.005 . . . . 0.0 111.642 168.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.64 99.67 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.868 1.334 . . . . 0.0 113.856 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -50.15 71.48 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.253 0.933 . . . . 0.0 112.162 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -68.01 -32.15 72.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.63 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.29 95.16 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.662 1.185 . . . . 0.0 113.192 173.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.72 -42.2 86.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.455 0.57 . . . . 0.0 110.544 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.56 -37.91 88.01 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.323 169.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.33 1.38 0.52 Allowed 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 121.308 1.867 . . . . 0.0 115.26 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -110.57 -5.28 15.12 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.553 1.541 . . . . 0.0 112.647 168.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -139.03 35.28 2.13 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.792 2.437 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -105.95 104.56 14.29 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 110.14 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -123.13 -159.29 0.83 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.12 1.368 . . . . 0.0 109.563 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -76.7 -26.0 54.22 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.995 -1.066 . . . . 0.0 112.529 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -54.21 -24.29 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 171.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -32.95 66.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.886 1.221 . . . . 0.0 112.687 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.35 -29.23 70.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.514 0.726 . . . . 0.0 112.55 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -93.26 -42.93 9.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.963 1.305 . . . . 0.0 111.68 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.82 -25.95 67.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.888 1.275 . . . . 0.0 112.315 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -46.9 -29.65 2.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -50.93 -27.92 8.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.05 -32.98 2.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.472 1.909 . . . . 0.0 112.738 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.35 -39.79 71.09 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.434 -1.416 . . . . 0.0 113.235 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.93 -33.69 75.87 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 119.138 0.881 . . . . 0.0 110.42 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -73.99 -41.54 61.77 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.37 1.068 . . . . 0.0 112.673 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -42.9 86.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.668 1.122 . . . . 0.0 111.672 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.85 -32.52 69.56 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.71 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -56.59 -42.65 79.05 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 121.963 2.165 . . . . 0.0 111.699 170.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -59.17 -29.75 67.68 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 116.897 -1.525 . . . . 0.0 112.883 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.49 -52.37 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 121.487 1.949 . . . . 0.0 111.086 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -38.92 72.21 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.347 1.43 . . . . 0.0 111.618 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.74 -37.98 64.92 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 116.773 -1.584 . . . . 0.0 112.09 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -56.8 -43.98 81.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.264 1.826 . . . . 0.0 111.009 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.682 ' HB3' HD11 ' A' ' 33' ' ' LEU . 15.8 m-20 -71.35 -37.15 71.69 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.182 0.593 . . . . 0.0 111.303 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 mp -65.17 -60.18 3.29 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.622 0.769 . . . . 0.0 111.103 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -6.37 6.76 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 118.186 -2.821 . . . . 0.0 115.17 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.18 -69.93 0.5 Allowed 'General case' 0 C--O 1.22 -0.462 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 156.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.603 HG22 HD12 ' A' ' 36' ' ' LEU . 56.3 m -81.72 -42.59 19.63 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.233 1.379 . . . . 0.0 114.608 -168.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -46.18 88.79 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.623 1.569 . . . . 0.0 111.691 170.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.02 -39.66 55.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.051 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -54.93 -38.46 67.7 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 116.583 -1.675 . . . . 0.0 110.446 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.74 -52.33 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 120.484 1.493 . . . . 0.0 111.93 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -14.59 61.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -91.02 -9.36 46.2 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.549 1.939 . . . . 0.0 114.108 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.423 HD12 HD12 ' A' ' 43' ' ' LEU . 33.0 mt -52.87 137.26 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 110.485 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -100.39 146.4 27.04 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.372 1.069 . . . . 0.0 112.135 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 p -85.48 123.02 30.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.984 1.314 . . . . 0.0 111.168 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.38 1.872 . . . . 0.0 115.553 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 119.093 -0.48 . . . . 0.0 109.76 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.95 139.22 2.87 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.479 1.512 . . . . 0.0 110.858 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -158.79 143.06 15.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.289 1.436 . . . . 0.0 111.517 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -163.53 173.63 12.83 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.226 1.81 . . . . 0.0 110.774 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -149.97 -176.67 5.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.58 1.552 . . . . 0.0 111.79 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -51.06 143.35 10.68 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.898 0.879 . . . . 0.0 111.902 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -97.21 165.46 12.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.073 0.949 . . . . 0.0 112.537 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.72 159.37 32.37 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.436 1.095 . . . . 0.0 112.41 171.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -83.8 160.48 21.2 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.42 1.088 . . . . 0.0 112.699 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -142.78 164.6 29.66 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.914 2.086 . . . . 0.0 110.463 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.53 96.45 0.07 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.431 1.892 . . . . 0.0 112.545 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mp -107.0 156.83 18.31 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.026 1.33 . . . . 0.0 112.084 -173.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.77 177.6 5.38 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.024 0.929 . . . . 0.0 113.091 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.7 tt -58.73 -30.54 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.181 1.393 . . . . 0.0 114.31 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.91 94.29 6.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.681 1.192 . . . . 0.0 109.067 170.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.58 -29.05 64.15 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.517 -0.74 . . . . 0.0 111.532 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -63.94 -56.66 13.6 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.986 1.315 . . . . 0.0 113.463 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -68.75 -39.81 80.12 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.01 -32.34 70.79 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.244 0.929 . . . . 0.0 112.654 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.51 59.91 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.939 0.79 . . . . 0.0 112.515 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.93 -36.18 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 120.11 1.323 . . . . 0.0 111.007 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.85 -48.74 65.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 119.883 -1.761 . . . . 0.0 111.6 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.16 -33.66 38.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 117.359 -1.305 . . . . 0.0 112.776 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.16 51.03 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 119.941 1.246 . . . . 0.0 112.828 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.13 -39.8 90.15 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.04 1.336 . . . . 0.0 111.576 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.02 -46.64 88.28 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 0.0 111.804 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.63 -18.0 63.56 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.168 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.36 -39.53 89.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.712 1.596 . . . . 0.0 110.532 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.85 -41.27 97.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.218 1.007 . . . . 0.0 112.635 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -66.88 -30.55 70.74 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.829 1.195 . . . . 0.0 113.031 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.46 HD13 ' HB ' ' A' ' 107' ' ' THR . 0.7 OUTLIER -63.74 -27.4 69.17 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.343 1.057 . . . . 0.0 112.038 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -55.72 -20.31 14.02 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.554 1.142 . . . . 0.0 113.733 168.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -83.65 -25.79 30.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.935 -1.103 . . . . 0.0 113.016 171.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -68.0 -27.0 66.18 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.745 -1.222 . . . . 0.0 112.0 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.09 -38.91 68.71 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.381 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -42.12 79.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.73 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -35.25 69.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.273 1.029 . . . . 0.0 112.543 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -35.9 25.21 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.631 1.972 . . . . 0.0 111.611 175.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.82 61.45 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.83 1.195 . . . . 0.0 112.539 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.74 -22.34 65.23 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.245 1.418 . . . . 0.0 114.676 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.06 -42.99 8.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.878 1.271 . . . . 0.0 111.684 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -91.81 19.47 6.51 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.472 1.509 . . . . 0.0 113.938 179.007 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 p -57.14 80.11 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 128.551 2.74 . . . . 0.0 114.593 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -131.57 -68.66 0.64 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.477 1.511 . . . . 0.0 111.996 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -145.83 -54.66 0.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.444 . . . . 0.0 111.089 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.54 6.06 2.64 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -52.46 -27.54 16.53 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.182 1.393 . . . . 0.0 113.785 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -116.83 12.03 14.65 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.889 1.275 . . . . 0.0 112.727 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -120.96 -47.52 2.28 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.112 1.765 . . . . 0.0 112.452 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.6 tp -73.29 -27.42 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 121.326 -0.859 . . . . 0.0 111.21 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -53.34 -39.84 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.63 0.772 . . . . 0.0 111.381 163.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -77.48 -39.26 47.13 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.415 1.086 . . . . 0.0 112.124 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.31 -45.18 66.77 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.567 1.076 . . . . 0.0 113.367 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -39.75 91.76 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.796 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -57.63 -43.55 84.92 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.22 1.373 . . . . 0.0 112.192 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.92 -46.25 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.859 -1.151 . . . . 0.0 112.063 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -30.51 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.629 0.65 . . . . 0.0 112.512 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.2 t -64.29 -52.1 60.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.985 2.114 . . . . 0.0 111.567 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.98 74.75 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 112.495 174.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ttt -67.82 -47.36 69.27 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.154 -0.966 . . . . 0.0 112.005 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -33.35 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 121.616 -0.677 . . . . 0.0 111.76 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.64 -53.72 53.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.233 1.413 . . . . 0.0 110.51 168.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.51 -36.63 71.38 Favored Glycine 0 CA--C 1.54 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 113.398 173.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.53 86.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.252 1.026 . . . . 0.0 113.209 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.82 -38.01 89.53 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.598 1.09 . . . . 0.0 111.256 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.41 -40.57 54.11 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.434 1.492 . . . . 0.0 113.833 169.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.27 72.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.9 1.35 . . . . 0.0 112.729 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -48.89 76.22 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.994 0.918 . . . . 0.0 112.144 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.41 -33.22 75.45 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.293 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -65.93 -45.51 81.59 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.002 1.274 . . . . 0.0 112.807 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.73 -38.59 85.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.199 0.454 . . . . 0.0 111.924 171.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -35.31 74.55 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.81 -23.23 67.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.56 1.544 . . . . 0.0 113.738 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -79.19 -5.46 54.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.132 1.373 . . . . 0.0 113.976 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.8 t -129.78 34.74 4.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.808 1.643 . . . . 0.0 111.665 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 63.43 0.3 Allowed 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.574 1.55 . . . . 0.0 112.803 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 -179.29 3.9 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.014 1.325 . . . . 0.0 112.131 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.7 -33.45 71.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.397 1.479 . . . . 0.0 113.681 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.97 -25.11 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.056 -1.028 . . . . 0.0 113.618 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.2 -24.43 64.94 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.794 0.837 . . . . 0.0 112.255 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.83 -33.99 62.26 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.199 1.363 . . . . 0.0 112.028 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -50.43 32.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.345 1.058 . . . . 0.0 111.149 169.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.72 -22.21 64.35 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.746 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -50.91 -28.22 9.21 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.842 1.656 . . . . 0.0 112.892 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.12 -36.24 18.41 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.972 0.806 . . . . 0.0 112.998 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.42 -39.8 3.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.636 1.174 . . . . 0.0 112.306 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.47 -43.95 88.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.802 1.183 . . . . 0.0 113.538 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.518 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -65.77 -35.34 80.44 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 120.012 1.278 . . . . 0.0 111.536 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -73.58 -28.33 61.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.623 0.769 . . . . 0.0 112.183 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.21 -47.09 84.0 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.583 -1.323 . . . . 0.0 110.396 167.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.57 -40.04 95.95 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.662 171.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -59.15 -33.49 70.97 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.101 1.773 . . . . 0.0 112.966 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -28.55 67.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 117.153 -1.403 . . . . 0.0 112.614 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.4 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 121.477 1.944 . . . . 0.0 111.948 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -37.87 88.92 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 121.389 1.904 . . . . 0.0 112.019 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.94 -42.16 66.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.305 0.642 . . . . 0.0 109.767 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -53.71 -46.83 70.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.501 1.92 . . . . 0.0 112.059 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -61.59 -39.73 92.26 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.184 1.356 . . . . 0.0 112.099 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.12 -64.25 0.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.981 0.912 . . . . 0.0 111.098 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 1.2 4.01 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 121.056 1.753 . . . . 0.0 115.417 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -81.87 -70.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.774 1.229 . . . . 0.0 108.156 157.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.46 ' HB ' HD13 ' A' ' 36' ' ' LEU . 47.2 m -85.3 -32.54 22.46 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -165.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -39.58 72.7 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.091 -1.631 . . . . 0.0 112.074 168.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -41.96 63.05 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.329 -0.857 . . . . 0.0 109.814 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -54.38 -38.85 66.62 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.122 -1.418 . . . . 0.0 111.375 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.15 -49.92 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 120.796 1.634 . . . . 0.0 112.146 170.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -76.28 -13.89 60.14 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -93.2 -14.49 27.04 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.386 1.875 . . . . 0.0 113.646 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.434 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 20.3 mt -52.73 141.16 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.628 1.171 . . . . 0.0 110.59 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -111.85 158.75 19.05 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.384 1.088 . . . . 0.0 112.649 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 p -95.66 128.85 42.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.896 1.678 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.444 1.897 . . . . 0.0 115.131 -164.134 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.94 123.96 15.39 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.489 1.116 . . . . 0.0 111.663 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -165.69 103.23 0.69 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.692 1.197 . . . . 0.0 110.716 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.01 159.9 18.43 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.844 1.257 . . . . 0.0 111.94 174.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -80.21 145.75 32.09 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.523 1.129 . . . . 0.0 111.603 167.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -152.55 158.58 42.71 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.196 1.798 . . . . 0.0 111.51 170.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -153.74 137.94 16.54 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.964 1.706 . . . . 0.0 110.117 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.28 104.5 0.17 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.425 1.89 . . . . 0.0 109.949 176.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -159.52 -175.24 5.07 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.932 1.693 . . . . 0.0 110.326 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 59.55 82.05 0.16 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.265 1.826 . . . . 0.0 114.167 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -145.29 122.9 11.78 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.48 -0.763 . . . . 0.0 111.9 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.61 175.23 12.12 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.476 1.51 . . . . 0.0 112.261 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.55 -179.4 4.01 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.167 1.787 . . . . 0.0 112.041 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mp 70.21 128.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 128.098 2.559 . . . . 0.0 111.07 -175.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 44.33 47.05 7.93 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.871 0.869 . . . . 0.0 112.43 -173.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -26.69 36.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.862 -1.149 . . . . 0.0 112.064 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -60.43 -57.33 13.2 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.305 1.042 . . . . 0.0 112.619 167.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -62.95 -45.09 94.12 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.384 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -60.73 -32.45 71.72 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.7 -53.65 55.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.863 1.21 . . . . 0.0 111.497 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.61 -38.67 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.631 1.105 . . . . 0.0 111.894 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -42.97 98.96 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 119.325 -2.109 . . . . 0.0 112.186 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -83.88 -39.45 19.86 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.07 173.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.98 11.76 Favored Glycine 0 N--CA 1.469 0.884 0 C-N-CA 124.556 1.074 . . . . 0.0 113.046 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.99 -32.23 67.69 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.684 1.194 . . . . 0.0 112.954 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -70.58 -47.61 59.39 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.238 0.926 . . . . 0.0 112.624 170.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -71.57 -13.7 61.86 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.682 1.193 . . . . 0.0 113.456 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.406 HD11 ' CB ' ' A' ' 103' ' ' ASP . 3.6 mp -67.67 -30.78 70.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.328 1.451 . . . . 0.0 111.979 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.05 -34.39 76.37 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.752 -0.593 . . . . 0.0 112.253 163.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -40.23 94.51 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.341 -0.85 . . . . 0.0 111.029 170.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -55.74 -29.34 59.39 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.17 1.388 . . . . 0.0 112.356 -178.397 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -56.82 -20.2 21.35 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 120.403 -1.436 . . . . 0.0 114.323 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -83.57 -29.03 28.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.909 1.683 . . . . 0.0 112.82 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -58.09 -32.6 68.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.072 0.851 . . . . 0.0 110.435 169.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.7 -41.19 90.22 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 119.351 0.978 . . . . 0.0 111.544 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -40.7 68.04 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.386 1.074 . . . . 0.0 113.016 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.58 -35.65 80.19 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.686 -1.259 . . . . 0.0 111.956 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -32.09 45.0 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.365 1.466 . . . . 0.0 112.522 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.59 54.02 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.285 1.857 . . . . 0.0 112.344 176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.47 -18.0 64.31 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.483 1.513 . . . . 0.0 114.771 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -38.41 8.66 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.197 1.399 . . . . 0.0 112.11 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 18.72 10.74 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.506 1.523 . . . . 0.0 113.442 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 p -54.77 87.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 128.281 2.632 . . . . 0.0 114.434 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -138.79 -72.3 0.4 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.585 1.554 . . . . 0.0 111.637 -171.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -149.71 -56.35 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.191 1.396 . . . . 0.0 110.855 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.96 0.99 1.56 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.34 -33.14 28.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.951 1.7 . . . . 0.0 115.067 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.73 8.08 20.54 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.347 1.059 . . . . 0.0 112.87 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -118.87 -44.85 2.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.983 1.713 . . . . 0.0 112.117 -171.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.4 tp -70.85 -30.21 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.642 0.777 . . . . 0.0 110.936 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 tt -50.81 -41.93 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.461 165.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.07 -39.94 54.31 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.257 1.023 . . . . 0.0 113.393 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.06 -49.06 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.881 1.219 . . . . 0.0 112.914 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -34.37 72.19 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.559 -0.713 . . . . 0.0 111.652 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.12 -39.52 86.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.634 1.106 . . . . 0.0 111.875 166.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -45.73 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.374 0.988 . . . . 0.0 110.312 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -33.76 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 118.812 0.733 . . . . 0.0 112.821 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.05 -44.42 80.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.213 1.405 . . . . 0.0 111.864 175.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.91 -35.35 74.51 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.64 1.176 . . . . 0.0 112.534 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -48.63 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.851 0.86 . . . . 0.0 111.525 173.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -38.41 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.845 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -52.09 -40.9 61.92 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.401 1.08 . . . . 0.0 112.336 167.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.51 98.49 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.205 -1.559 . . . . 0.0 113.826 171.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.68 58.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.487 1.115 . . . . 0.0 113.939 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -60.75 -43.89 97.4 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.222 -0.924 . . . . 0.0 111.242 168.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.05 -37.66 54.41 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.793 1.187 . . . . 0.0 113.533 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.93 -43.63 64.97 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.941 1.371 . . . . 0.0 113.066 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -47.51 82.43 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.262 0.625 . . . . 0.0 112.165 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.21 -34.76 76.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.117 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -57.13 -47.25 81.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.884 1.22 . . . . 0.0 112.254 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.89 -40.95 97.71 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.399 0.28 . . . . 0.0 111.405 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -37.04 83.41 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -27.24 68.04 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.758 1.223 . . . . 0.0 112.887 175.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -75.77 -20.42 58.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.752 1.621 . . . . 0.0 113.18 171.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.9 p -122.83 39.77 3.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.99 2.116 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.83 85.78 4.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.975 1.71 . . . . 0.0 111.56 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.4 -171.23 2.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.714 1.605 . . . . 0.0 111.18 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -72.71 -25.2 61.14 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.399 -1.438 . . . . 0.0 113.65 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.55 -28.38 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 172.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -30.23 68.76 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.621 1.168 . . . . 0.0 111.631 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.86 -30.9 68.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.571 1.078 . . . . 0.0 113.005 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -42.86 14.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.88 1.272 . . . . 0.0 110.816 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -21.81 64.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 117.261 -1.352 . . . . 0.0 112.111 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -45.87 -33.84 3.45 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.2 1.8 . . . . 0.0 112.422 177.36 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -47.9 -27.24 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -129.77 -30.14 2.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.384 1.873 . . . . 0.0 112.481 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -74.25 -42.23 60.0 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.479 -1.388 . . . . 0.0 112.764 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -62.47 -32.21 73.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.889 0.768 . . . . 0.0 110.999 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.91 -38.15 38.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.925 1.29 . . . . 0.0 112.682 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -42.45 82.83 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.55 -1.344 . . . . 0.0 110.867 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.27 -32.17 64.5 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.33 -1.319 . . . . 0.0 112.8 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 p -57.92 -42.88 85.73 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 122.384 2.357 . . . . 0.0 111.007 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -56.85 -33.16 66.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 116.574 -1.679 . . . . 0.0 113.428 169.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mm -59.29 -57.22 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 121.56 1.982 . . . . 0.0 110.801 173.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -40.58 87.52 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.429 1.468 . . . . 0.0 112.662 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.45 -41.74 93.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 111.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -63.45 -44.11 95.44 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 125.863 1.665 . . . . 0.0 110.969 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.406 ' CB ' HD11 ' A' ' 33' ' ' LEU . 44.3 m-20 -63.64 -36.62 84.43 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 121.219 1.827 . . . . 0.0 111.776 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.03 -58.21 6.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.657 0.783 . . . . 0.0 111.086 165.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -65.04 -3.41 3.57 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 119.458 -2.026 . . . . 0.0 114.67 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.94 -73.59 0.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.735 2.014 . . . . 0.0 106.995 163.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 36' ' ' LEU . 14.0 m -77.69 -36.68 50.89 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.959 1.254 . . . . 0.0 113.645 -168.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.98 -41.31 78.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.348 1.459 . . . . 0.0 111.036 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -79.87 -39.08 31.33 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.468 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -54.49 -39.38 67.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 116.243 -1.837 . . . . 0.0 110.584 163.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.65 -51.79 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 120.98 1.718 . . . . 0.0 111.978 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -66.46 -28.47 68.62 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.043 -1.036 . . . . 0.0 113.229 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.56 -7.74 59.63 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.473 1.909 . . . . 0.0 114.599 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.1 mt -54.81 134.13 18.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 124.114 0.965 . . . . 0.0 109.827 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -91.44 152.1 20.52 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 122.555 1.169 . . . . 0.0 112.031 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.3 p -85.85 149.8 24.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.002 1.321 . . . . 0.0 110.894 168.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.72 -1.609 . . . . 0.0 113.219 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 35.36 74.6 0.07 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 128.056 2.542 . . . . 0.0 115.558 -175.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -143.28 174.9 10.31 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.547 1.539 . . . . 0.0 111.512 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 57.76 171.61 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.921 2.088 . . . . 0.0 114.584 -165.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -70.95 149.6 46.52 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.971 -1.081 . . . . 0.0 110.983 164.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.71 114.9 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.364 -0.835 . . . . 0.0 109.716 165.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -59.25 168.96 1.26 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.419 1.087 . . . . 0.0 111.681 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -133.55 164.8 26.37 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.875 0.87 . . . . 0.0 111.526 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -116.79 104.69 11.59 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.862 1.265 . . . . 0.0 109.526 -172.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.55 156.92 21.75 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.089 0.956 . . . . 0.0 111.695 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -91.24 152.6 20.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 122.305 1.05 . . . . 0.0 112.476 171.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.11 176.03 9.81 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 128.157 2.583 . . . . 0.0 108.896 -175.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.57 176.95 0.16 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.912 1.285 . . . . 0.0 111.877 -167.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mt 48.86 80.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 126.794 2.038 . . . . 0.0 113.191 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 44.88 84.81 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.866 1.667 . . . . 0.0 113.834 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -45.52 -35.77 4.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -61.02 -53.83 52.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.134 0.879 . . . . 0.0 113.282 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.4 -46.84 68.89 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 123.625 0.77 . . . . 0.0 109.839 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -57.29 -36.23 70.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.106 0.866 . . . . 0.0 113.079 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.23 90.79 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.762 1.165 . . . . 0.0 112.894 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.9 -30.63 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.219 1.827 . . . . 0.0 112.715 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.12 -52.39 59.38 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.82 -1.175 . . . . 0.0 110.679 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -76.38 -34.45 58.89 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.888 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.0 -47.51 73.31 Favored Glycine 0 N--CA 1.466 0.663 0 CA-C-N 119.839 1.2 . . . . 0.0 113.328 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 33' ' ' LEU . 29.2 mt-10 -70.93 -30.74 67.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.315 1.558 . . . . 0.0 112.921 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -76.64 -35.92 57.72 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.159 -0.963 . . . . 0.0 112.309 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.07 -15.06 52.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.799 1.24 . . . . 0.0 112.75 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 30' ' ' GLU . 4.1 mt -59.84 -46.45 89.22 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 121.118 1.781 . . . . 0.0 110.225 166.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.83 -49.73 75.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.688 0.795 . . . . 0.0 110.75 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -59.05 -33.81 71.2 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.451 -0.78 . . . . 0.0 112.677 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.433 HD13 ' HB ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -56.2 -25.99 49.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.934 2.094 . . . . 0.0 112.505 178.668 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.26 -30.45 68.29 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.37 1.068 . . . . 0.0 112.546 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -74.12 -24.49 59.46 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.946 -1.096 . . . . 0.0 112.68 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -18.94 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.298 1.439 . . . . 0.0 112.674 172.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.61 -31.89 69.03 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.131 -0.98 . . . . 0.0 110.847 164.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.03 -42.97 56.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.287 1.035 . . . . 0.0 112.705 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -61.85 -30.57 70.94 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.976 -1.078 . . . . 0.0 112.46 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -36.19 58.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.435 1.894 . . . . 0.0 111.673 172.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -23.64 25.42 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.889 1.222 . . . . 0.0 113.156 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -72.4 -30.93 65.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.941 1.296 . . . . 0.0 114.176 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -83.01 -50.82 8.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.149 1.38 . . . . 0.0 111.937 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -85.61 17.38 3.31 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 179.13 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -55.12 88.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.404 2.282 . . . . 0.0 113.739 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -137.49 -71.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.639 1.576 . . . . 0.0 112.168 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -147.98 -54.17 0.2 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.242 1.417 . . . . 0.0 112.037 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.99 -0.92 2.61 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -52.32 -24.62 7.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.803 2.041 . . . . 0.0 115.295 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.51 10.91 13.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.031 1.332 . . . . 0.0 112.851 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.34 -47.73 1.99 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.361 1.864 . . . . 0.0 112.039 -172.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.74 -25.39 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.583 -0.698 . . . . 0.0 111.8 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.7 tt -51.89 -42.05 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.11 0.564 . . . . 0.0 110.609 163.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -74.72 -36.53 62.69 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.387 1.075 . . . . 0.0 112.355 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.14 -50.35 64.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.801 0.84 . . . . 0.0 112.379 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mt -70.27 -32.9 70.92 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.503 -0.748 . . . . 0.0 111.881 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.62 -39.31 80.11 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.535 1.061 . . . . 0.0 112.119 165.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -59.9 -46.76 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.416 1.007 . . . . 0.0 111.264 174.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -34.77 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.12 0.873 . . . . 0.0 112.493 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.46 -55.22 36.1 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.111 1.765 . . . . 0.0 111.557 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.66 76.15 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.231 1.012 . . . . 0.0 112.403 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.9 ttt -67.63 -44.77 77.2 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 112.21 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tt -76.98 -26.74 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.175 0.898 . . . . 0.0 112.476 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.77 -57.02 14.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.333 1.453 . . . . 0.0 110.474 165.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.08 96.63 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.528 -0.732 . . . . 0.0 113.304 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.1 95.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.896 0.878 . . . . 0.0 112.686 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.93 -37.48 81.7 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.143 -0.973 . . . . 0.0 111.999 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.74 55.44 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.01 0.814 . . . . 0.0 112.368 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.38 85.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 118.038 0.919 . . . . 0.0 112.936 171.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -47.6 79.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.056 0.844 . . . . 0.0 112.85 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.72 -37.21 84.23 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.454 -0.779 . . . . 0.0 112.462 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.58 -36.68 83.23 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 112.86 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -66.64 -35.1 79.37 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.395 -0.815 . . . . 0.0 111.295 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -37.96 84.43 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -58.99 -34.2 71.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.719 1.145 . . . . 0.0 112.794 172.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -75.41 -15.95 60.4 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.684 1.593 . . . . 0.0 113.919 173.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -124.8 33.27 5.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.128 1.771 . . . . 0.0 111.735 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.58 93.93 7.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.409 1.484 . . . . 0.0 109.434 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -131.53 -176.83 4.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.007 1.323 . . . . 0.0 111.38 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.44 -34.06 64.13 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.717 0.807 . . . . 0.0 112.432 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -60.55 -24.13 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -29.15 69.93 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 120.236 1.38 . . . . 0.0 111.503 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -67.86 -31.36 71.13 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.688 1.131 . . . . 0.0 112.785 174.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.17 -44.38 12.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.971 0.908 . . . . 0.0 111.575 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -23.21 64.82 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.6 1.16 . . . . 0.0 112.035 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -49.42 -28.77 5.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.387 1.449 . . . . 0.0 113.452 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -47.17 -33.09 4.89 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 169.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.74 -37.73 2.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.575 1.55 . . . . 0.0 113.118 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.83 -49.13 78.7 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.832 -1.168 . . . . 0.0 112.301 170.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -65.77 -34.92 79.29 Favored 'General case' 0 C--N 1.342 0.265 0 O-C-N 120.68 -1.263 . . . . 0.0 112.261 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -71.42 -29.53 65.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.265 0.626 . . . . 0.0 112.07 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -48.84 76.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.345 0.975 . . . . 0.0 111.029 167.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.83 -38.53 91.44 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.36 1.437 . . . . 0.0 111.579 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -54.12 -46.6 72.2 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.625 1.102 . . . . 0.0 111.739 170.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -62.34 -33.25 74.35 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 116.184 -1.865 . . . . 0.0 112.698 170.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.79 -50.84 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.691 2.496 . . . . 0.0 112.013 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -40.47 95.53 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 121.083 1.765 . . . . 0.0 111.83 176.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.17 -36.37 83.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.613 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.41 -36.75 63.48 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.703 1.601 . . . . 0.0 112.223 171.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -59.26 -41.7 89.44 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 121.725 2.057 . . . . 0.0 110.797 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.97 -60.16 2.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.151 0.98 . . . . 0.0 111.519 167.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -68.44 -4.5 15.05 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 121.332 1.878 . . . . 0.0 115.367 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.46 -85.21 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.727 1.611 . . . . 0.0 107.265 156.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.433 ' HB ' HD13 ' A' ' 36' ' ' LEU . 17.6 m -69.06 -32.01 71.19 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.49 -40.75 66.66 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 121.108 1.776 . . . . 0.0 112.654 172.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -80.03 -41.6 25.45 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -55.2 -36.06 65.53 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.984 -1.484 . . . . 0.0 111.567 161.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -53.75 -52.23 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 120.999 1.727 . . . . 0.0 111.344 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -72.35 -16.36 61.87 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -86.31 -14.08 44.68 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.502 1.521 . . . . 0.0 114.014 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.452 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 8.3 mt -51.3 129.75 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.805 1.242 . . . . 0.0 110.936 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.56 158.45 32.48 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.47 1.129 . . . . 0.0 113.099 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 p -99.18 144.48 28.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.927 1.291 . . . . 0.0 110.282 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.149 1.779 . . . . 0.0 113.483 -168.492 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -29.94 66.34 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.795 1.634 . . . . 0.0 113.406 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -49.97 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.709 1.14 . . . . 0.0 112.696 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.93 -43.48 87.97 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.927 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -57.67 -39.09 76.31 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.0 1.273 . . . . 0.0 111.539 170.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.18 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 119.114 0.87 . . . . 0.0 112.722 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.9 pt -66.43 -41.18 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.001 1.273 . . . . 0.0 111.377 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.89 -53.99 50.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.222 0.919 . . . . 0.0 111.135 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -62.65 -50.94 69.22 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 117.77 -1.11 . . . . 0.0 110.443 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.16 83.8 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.93 1.241 . . . . 0.0 113.25 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.07 -41.25 70.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.027 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -63.05 -40.72 98.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 120.361 -1.462 . . . . 0.0 112.279 172.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -26.03 57.2 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.732 176.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.99 -44.54 94.45 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.586 1.994 . . . . 0.0 111.593 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.72 -32.13 71.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.061 0.944 . . . . 0.0 112.483 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -38.37 47.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.709 0.803 . . . . 0.0 111.957 173.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.54 -26.96 68.94 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.206 1.802 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -55.96 -24.06 36.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.016 0.926 . . . . 0.0 113.484 166.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -79.59 -29.97 41.4 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.845 -1.16 . . . . 0.0 112.342 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.37 -29.38 70.45 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.861 -1.149 . . . . 0.0 111.66 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.72 -40.55 75.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.033 166.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.82 -39.19 69.97 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.917 0.887 . . . . 0.0 111.431 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -48.18 75.38 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.502 -0.749 . . . . 0.0 110.967 172.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -33.25 68.13 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.757 1.223 . . . . 0.0 112.291 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.68 66.87 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.855 1.661 . . . . 0.0 112.458 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.31 -18.36 64.49 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.099 0.959 . . . . 0.0 113.39 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -93.85 -48.16 6.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.095 1.758 . . . . 0.0 111.494 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -83.52 12.14 6.07 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.23 79.32 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 128.15 2.58 . . . . 0.0 114.531 -171.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -133.65 -51.36 0.85 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.495 1.518 . . . . 0.0 113.391 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -150.25 -71.98 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.294 1.037 . . . . 0.0 111.512 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -69.09 19.23 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.13 -32.86 56.36 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.537 1.935 . . . . 0.0 114.362 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -111.03 4.2 19.29 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.65 1.18 . . . . 0.0 112.222 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -104.12 -51.25 3.17 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.606 1.562 . . . . 0.0 111.111 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tp -69.2 -30.38 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.006 0.922 . . . . 0.0 113.102 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 tt -53.07 -42.06 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.066 0.946 . . . . 0.0 111.796 164.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -80.78 -31.99 35.6 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 125.469 1.508 . . . . 0.0 112.884 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.98 -43.68 70.98 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.801 1.182 . . . . 0.0 111.949 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.07 -31.56 61.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.799 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.26 -39.59 79.62 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.125 0.875 . . . . 0.0 112.394 160.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.24 -47.45 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.64 1.109 . . . . 0.0 111.689 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -74.3 -34.32 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.931 0.787 . . . . 0.0 112.021 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.93 -55.07 38.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.62 1.168 . . . . 0.0 112.108 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.6 71.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.018 0.927 . . . . 0.0 112.784 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.8 ttt -69.49 -43.13 73.76 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.312 -0.867 . . . . 0.0 112.325 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -32.23 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.733 0.813 . . . . 0.0 112.29 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.75 -39.42 73.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.656 1.583 . . . . 0.0 111.138 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.33 -27.84 68.34 Favored Glycine 0 CA--C 1.536 1.378 0 O-C-N 121.094 -1.004 . . . . 0.0 114.536 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.85 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.789 1.294 . . . . 0.0 112.574 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -66.08 -34.71 78.69 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.491 -0.755 . . . . 0.0 111.522 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.12 -36.46 61.57 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.357 0.98 . . . . 0.0 113.638 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.36 -36.96 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 117.813 0.807 . . . . 0.0 112.234 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.45 72.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.056 0.942 . . . . 0.0 111.632 173.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.93 -33.07 72.59 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.528 -1.358 . . . . 0.0 113.113 174.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.49 -36.08 63.26 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.664 -0.647 . . . . 0.0 112.052 171.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -61.04 -34.6 75.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.366 0.53 . . . . 0.0 111.833 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.9 55.02 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -78.56 -27.69 45.86 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.604 1.162 . . . . 0.0 112.698 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -79.66 -32.48 41.54 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.104 1.361 . . . . 0.0 112.11 167.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -123.58 69.53 1.04 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.067 1.747 . . . . 0.0 110.565 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.05 169.55 2.63 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.339 -0.85 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.74 61.02 0.96 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.502 1.521 . . . . 0.0 111.748 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -128.02 -64.49 0.96 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.908 2.083 . . . . 0.0 109.982 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.47 -32.72 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 121.456 -0.777 . . . . 0.0 111.702 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.7 -27.24 67.73 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.34 0.656 . . . . 0.0 111.773 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.27 -27.66 66.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.636 0.774 . . . . 0.0 112.886 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -105.46 -39.55 6.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.365 1.066 . . . . 0.0 111.489 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -21.67 38.44 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.154 0.981 . . . . 0.0 112.247 172.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -33.83 0.84 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.213 1.405 . . . . 0.0 114.432 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -52.64 -23.92 7.47 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.12 -33.12 1.98 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.222 1.409 . . . . 0.0 111.646 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.8 -43.27 59.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.2 1.0 . . . . 0.0 111.864 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.31 70.62 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.035 -1.041 . . . . 0.0 111.405 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.79 -43.3 65.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.248 171.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -42.44 82.71 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.708 1.14 . . . . 0.0 111.307 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.78 -34.5 75.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.113 171.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -41.28 78.09 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.869 1.668 . . . . 0.0 111.697 168.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -63.08 -34.05 76.76 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 115.63 -2.128 . . . . 0.0 112.144 168.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.27 -47.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 123.016 2.644 . . . . 0.0 112.034 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -41.5 97.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.518 1.963 . . . . 0.0 112.172 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.2 tp -70.1 -39.49 75.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 19.1 mtpp -59.15 -44.02 92.06 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 127.128 2.171 . . . . 0.0 111.631 170.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -60.33 -39.46 87.15 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.156 1.343 . . . . 0.0 112.068 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -56.6 6.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.208 1.003 . . . . 0.0 111.692 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.452 ' HG3' ' HA ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -70.39 -6.95 39.26 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 119.462 -2.024 . . . . 0.0 114.144 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.52 -74.22 0.26 Allowed 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.4 m -82.14 -36.71 27.17 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -165.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -43.88 76.04 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.994 -1.691 . . . . 0.0 111.498 171.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.56 -38.81 65.1 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.966 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -41.64 71.75 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 116.414 -1.755 . . . . 0.0 110.244 166.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -50.78 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 121.298 1.863 . . . . 0.0 112.444 172.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -73.29 -13.14 61.07 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.02 -8.18 22.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.423 1.889 . . . . 0.0 113.498 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.451 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 15.8 mt -57.02 137.0 19.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 124.646 1.178 . . . . 0.0 110.187 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -104.14 159.13 15.94 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 122.53 1.157 . . . . 0.0 111.645 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.8 p -103.3 146.71 28.05 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 125.665 1.586 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.048 -173.649 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 93' ' ' ALA . 15.8 tt0 -55.5 -25.75 38.83 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.154 -0.966 . . . . 0.0 112.408 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -61.55 -54.37 43.95 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.961 1.255 . . . . 0.0 112.88 168.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -66.24 -46.19 78.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.231 0.612 . . . . 0.0 110.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -32.84 71.79 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.79 -51.39 62.5 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.246 0.93 . . . . 0.0 111.631 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.3 pt -72.06 -35.04 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.958 1.254 . . . . 0.0 111.987 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.02 -61.72 2.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.571 1.078 . . . . 0.0 110.632 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -70.33 -31.68 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 117.353 -1.308 . . . . 0.0 112.613 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.11 -45.19 57.55 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 120.06 1.3 . . . . 0.0 113.567 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.87 -38.11 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.885 1.342 . . . . 0.0 111.311 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -66.4 -40.61 89.72 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.122 -0.986 . . . . 0.0 111.014 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.733 -1.603 . . . . 0.0 113.093 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.16 -41.14 87.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 122.158 2.254 . . . . 0.0 111.406 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -45.89 90.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.901 0.88 . . . . 0.0 111.322 171.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.14 -33.95 76.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.874 0.87 . . . . 0.0 113.045 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -19.68 65.45 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.713 1.605 . . . . 0.0 112.565 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.515 ' HA ' HD23 ' A' ' 40' ' ' LEU . 75.1 mt-30 -55.39 -23.03 22.44 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.605 0.762 . . . . 0.0 113.028 165.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -77.19 -27.07 53.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.312 1.045 . . . . 0.0 112.932 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -27.28 66.48 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.755 -1.215 . . . . 0.0 110.616 175.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 59' ' ' LEU . 3.1 mm? -56.63 -48.7 76.94 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.849 0.75 . . . . 0.0 110.379 168.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -66.31 -43.56 85.9 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.492 0.717 . . . . 0.0 112.497 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.13 -38.11 82.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.478 -0.764 . . . . 0.0 111.961 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -31.93 36.34 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.797 1.239 . . . . 0.0 110.97 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -31.18 52.93 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.709 1.595 . . . . 0.0 112.351 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -65.34 -25.7 67.71 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -42.28 12.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.81 1.244 . . . . 0.0 112.771 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -95.63 21.75 7.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.903 1.281 . . . . 0.0 113.74 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 p -55.98 83.81 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.246 2.218 . . . . 0.0 114.818 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -136.91 -83.09 0.36 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.098 1.759 . . . . 0.0 111.399 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -145.19 -52.78 0.28 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.299 1.44 . . . . 0.0 112.096 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.09 -11.17 1.01 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -57.54 -23.0 47.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.288 1.435 . . . . 0.0 114.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.15 -9.23 13.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.962 1.705 . . . . 0.0 112.398 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -111.38 -43.76 3.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.189 -0.944 . . . . 0.0 112.731 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 tp -71.53 -31.09 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.03 -1.044 . . . . 0.0 111.285 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.455 ' HA ' HD12 ' A' ' 40' ' ' LEU . 12.2 tt -52.21 -37.77 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.489 0.716 . . . . 0.0 111.091 166.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -81.74 -39.63 23.9 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.444 1.097 . . . . 0.0 113.183 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.63 -45.92 64.3 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.232 0.924 . . . . 0.0 112.672 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.647 HD22 HD21 ' A' ' 40' ' ' LEU . 3.8 tt -66.31 -41.91 89.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.984 171.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.35 -34.77 72.79 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.98 1.264 . . . . 0.0 112.478 172.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.36 -45.46 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.864 0.865 . . . . 0.0 110.747 170.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.58 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.997 0.817 . . . . 0.0 112.915 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.0 t -64.04 -49.25 73.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.306 1.843 . . . . 0.0 112.215 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.75 -33.84 74.6 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.007 -1.058 . . . . 0.0 112.569 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 ttt -68.15 -45.12 74.42 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tp -69.43 -30.72 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.139 0.881 . . . . 0.0 111.696 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.24 -32.97 68.84 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.499 1.045 . . . . 0.0 112.952 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.53 -32.71 71.45 Favored Glycine 0 CA--C 1.54 1.644 0 O-C-N 120.871 -1.143 . . . . 0.0 113.539 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.93 74.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.514 -0.992 . . . . 0.0 113.189 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.61 -31.86 73.26 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.168 -0.957 . . . . 0.0 112.806 171.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.18 -24.14 76.79 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.945 1.259 . . . . 0.0 113.754 172.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.8 -34.5 52.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.635 1.218 . . . . 0.0 112.187 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -34.72 73.14 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.294 -0.879 . . . . 0.0 113.038 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -27.38 68.43 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.938 -1.101 . . . . 0.0 112.893 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -69.39 -28.98 66.65 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.317 1.447 . . . . 0.0 112.566 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -80.28 -31.75 38.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.429 0.691 . . . . 0.0 112.355 169.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.61 -24.67 64.0 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 119.392 0.996 . . . . 0.0 112.82 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -63.92 -31.42 72.6 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 168.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -77.23 -27.99 53.55 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.559 1.144 . . . . 0.0 112.187 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.9 p -130.69 68.69 1.47 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.275 1.83 . . . . 0.0 110.607 -175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -53.6 166.43 0.31 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.133 1.373 . . . . 0.0 113.476 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.11 50.58 0.21 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.835 1.654 . . . . 0.0 113.915 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -117.13 -61.45 1.71 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.88 2.072 . . . . 0.0 109.469 -167.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 85' ' ' LEU . 1.9 pp -75.7 -24.14 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.576 0.751 . . . . 0.0 112.493 165.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -60.95 -24.47 66.09 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.424 1.09 . . . . 0.0 112.654 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.84 -34.1 71.18 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.162 0.985 . . . . 0.0 113.449 172.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.17 -45.2 6.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.379 1.472 . . . . 0.0 110.531 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.79 -25.68 60.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.706 176.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 28.9 m-20 -40.96 -32.9 0.26 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.898 1.679 . . . . 0.0 114.679 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -52.59 -26.47 13.52 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 172.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.68 -33.11 2.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.526 1.53 . . . . 0.0 111.922 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.18 -42.03 60.51 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.571 1.548 . . . . 0.0 112.202 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -63.22 -29.85 71.11 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.454 -0.779 . . . . 0.0 111.145 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -82.37 -29.42 30.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.063 1.345 . . . . 0.0 113.324 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.31 -45.25 48.65 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.914 -1.116 . . . . 0.0 109.515 175.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.59 -30.9 69.75 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.322 169.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 p -60.15 -39.75 87.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.459 1.936 . . . . 0.0 112.278 169.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -31.03 69.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 116.12 -1.895 . . . . 0.0 112.459 168.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.4 mm -61.82 -46.91 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 121.873 2.124 . . . . 0.0 112.154 172.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.02 93.16 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 122.14 2.245 . . . . 0.0 112.568 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.07 -40.91 71.32 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.002 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -62.39 -41.42 98.63 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 125.704 1.602 . . . . 0.0 112.023 169.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.32 -43.32 83.23 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.534 1.515 . . . . 0.0 111.207 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.24 -54.82 14.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.655 0.782 . . . . 0.0 112.261 168.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.0 -3.47 10.15 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 119.845 -1.784 . . . . 0.0 114.498 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.1 -69.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 126.773 2.029 . . . . 0.0 107.699 160.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.574 HG23 HD21 ' A' ' 59' ' ' LEU . 1.2 m -76.93 -48.12 19.08 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -59.56 -38.18 80.42 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.165 -1.584 . . . . 0.0 112.21 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -80.07 -42.26 24.02 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.692 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.84 -37.97 60.82 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.907 -1.52 . . . . 0.0 110.729 166.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.88 -51.9 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.946 1.248 . . . . 0.0 112.267 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -73.92 -16.92 61.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -11.09 56.82 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.26 1.824 . . . . 0.0 113.732 171.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.508 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 37.7 mt -54.81 135.07 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.916 1.286 . . . . 0.0 110.259 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -97.96 161.62 13.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.198 1.399 . . . . 0.0 112.09 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.0 p -96.29 152.25 18.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.576 1.951 . . . . 0.0 111.494 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.263 1.425 . . . . 0.0 112.049 -177.593 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.08 -32.18 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 119.614 -1.929 . . . . 0.0 114.167 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.94 76.04 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 170.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -63.06 -50.19 71.58 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.41 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -44.42 15.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.883 1.22 . . . . 0.0 112.008 169.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -52.8 62.17 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.506 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.5 -31.78 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.706 1.139 . . . . 0.0 113.023 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.34 -55.85 7.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.815 1.646 . . . . 0.0 111.393 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.25 -35.1 63.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 117.52 -1.228 . . . . 0.0 110.934 173.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.84 -52.77 50.15 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 118.218 -1.324 . . . . 0.0 113.672 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.65 -33.02 74.69 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.239 2.019 . . . . 0.0 112.802 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -49.19 46.97 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.556 -0.715 . . . . 0.0 111.753 175.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -65.67 -20.04 66.14 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 116.957 -1.496 . . . . 0.0 112.435 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -41.6 75.5 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 121.383 1.901 . . . . 0.0 111.988 174.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.41 -37.96 77.7 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.577 -0.702 . . . . 0.0 112.414 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.71 -25.75 64.93 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.79 -1.194 . . . . 0.0 113.83 172.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 120.303 -1.498 . . . . 0.0 109.813 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.11 -24.87 68.1 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.588 1.555 . . . . 0.0 112.427 165.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -82.78 -27.11 31.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.42 1.088 . . . . 0.0 112.465 170.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -64.05 -26.77 68.7 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.24 -1.538 . . . . 0.0 112.974 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.31 -33.83 54.96 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.719 -0.613 . . . . 0.0 112.014 166.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.43 -41.36 61.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.388 1.075 . . . . 0.0 112.703 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.98 -35.28 78.03 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.602 1.092 . . . . 0.0 111.779 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -42.0 66.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.432 1.493 . . . . 0.0 110.929 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -26.29 33.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.418 1.087 . . . . 0.0 113.013 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.78 -26.26 60.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.977 0.911 . . . . 0.0 113.422 173.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -88.1 -46.3 9.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.923 1.289 . . . . 0.0 112.495 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 20.91 4.72 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.826 1.25 . . . . 0.0 113.597 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -55.88 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.949 2.1 . . . . 0.0 112.778 -174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -146.92 -76.82 0.18 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.901 1.68 . . . . 0.0 112.671 -173.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -145.07 -54.34 0.3 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.302 1.441 . . . . 0.0 111.533 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.79 -7.05 4.28 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -50.9 -27.51 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.119 1.768 . . . . 0.0 114.206 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -114.76 8.37 16.1 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.838 1.255 . . . . 0.0 113.123 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -124.91 -50.09 1.72 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.6 1.56 . . . . 0.0 112.109 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.83 -24.58 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 121.724 -0.61 . . . . 0.0 112.02 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.7 -42.39 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.641 -0.662 . . . . 0.0 111.01 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.73 -41.69 44.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.393 1.077 . . . . 0.0 111.881 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.45 -46.53 88.12 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.853 0.751 . . . . 0.0 112.284 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.1 tp -73.19 -37.69 66.4 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.82 -39.65 65.71 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.914 1.234 . . . . 0.0 112.363 166.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -45.3 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 119.101 0.864 . . . . 0.0 111.424 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -30.85 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.865 0.757 . . . . 0.0 112.67 175.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.43 -53.34 44.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.489 1.916 . . . . 0.0 110.825 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -28.75 69.85 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.912 -1.117 . . . . 0.0 113.199 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 ttt -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.097 -1.002 . . . . 0.0 112.188 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -25.36 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 123.237 0.615 . . . . 0.0 112.151 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.49 -48.77 76.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.478 1.111 . . . . 0.0 111.044 164.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.86 -41.64 84.26 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.679 0.657 . . . . 0.0 112.626 175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.74 74.71 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -63.12 -47.72 81.6 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.979 0.912 . . . . 0.0 111.655 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.12 98.0 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 123.864 0.745 . . . . 0.0 112.407 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.588 1.194 . . . . 0.0 112.73 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -45.61 92.08 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.97 0.804 . . . . 0.0 112.151 176.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.36 -34.43 77.29 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.706 1.139 . . . . 0.0 112.746 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -69.03 -40.55 78.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.657 1.183 . . . . 0.0 112.71 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -65.77 -36.9 84.85 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.966 0.803 . . . . 0.0 111.77 167.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.85 -40.3 92.35 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.271 0.941 . . . . 0.0 112.524 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -56.71 -39.17 73.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.649 1.179 . . . . 0.0 112.924 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -74.75 -30.88 61.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.325 1.05 . . . . 0.0 113.112 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -100.31 31.47 3.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.891 1.676 . . . . 0.0 111.553 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.07 78.78 4.06 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.262 -1.524 . . . . 0.0 110.568 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.41 176.5 7.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.465 1.106 . . . . 0.0 112.529 -174.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.07 -34.59 66.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.462 1.105 . . . . 0.0 113.898 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 85' ' ' LEU . 1.8 pp -60.76 -27.09 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.927 -1.108 . . . . 0.0 113.613 173.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 84' ' ' ILE . 2.8 tp -70.96 -21.36 62.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.575 1.15 . . . . 0.0 112.324 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.07 -25.48 68.13 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.044 0.838 . . . . 0.0 112.655 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.98 -46.42 6.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.185 0.994 . . . . 0.0 111.625 171.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.42 -19.85 16.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -34.38 1.91 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.976 1.31 . . . . 0.0 113.467 171.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.34 -30.39 39.12 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -120.38 -38.5 2.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.635 1.174 . . . . 0.0 113.682 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.23 -48.3 68.25 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.682 1.583 . . . . 0.0 112.699 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.23 76.53 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.55 -0.719 . . . . 0.0 110.817 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.36 -26.63 65.68 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 169.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -47.08 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.756 1.162 . . . . 0.0 111.303 167.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.26 -40.49 96.1 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.602 1.547 . . . . 0.0 112.111 173.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 t -52.77 -44.93 66.88 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.549 0.739 . . . . 0.0 111.558 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -60.13 -40.6 90.36 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 115.969 -1.967 . . . . 0.0 113.388 167.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.96 -53.5 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 123.104 2.683 . . . . 0.0 111.636 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -43.02 98.3 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.834 1.652 . . . . 0.0 111.329 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -32.38 73.88 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.107 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -72.5 -38.13 68.23 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.7 2.0 . . . . 0.0 112.05 173.014 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -63.69 -47.16 82.3 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 120.719 1.599 . . . . 0.0 110.943 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.55 -58.98 6.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 110.9 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.416 ' HG3' ' HA ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -69.72 -11.22 60.68 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 119.172 -2.205 . . . . 0.0 114.772 177.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.53 -70.24 0.38 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.68 1.582 . . . . 0.0 108.506 160.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.7 m -88.18 -33.96 17.99 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.196 1.362 . . . . 0.0 114.669 -166.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.19 87.07 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.927 1.694 . . . . 0.0 111.703 166.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -75.6 -38.32 59.13 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.159 -1.588 . . . . 0.0 111.395 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -56.73 -37.34 70.84 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.402 -1.285 . . . . 0.0 110.597 165.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.454 ' HA ' HD12 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -50.23 -49.92 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 120.67 1.577 . . . . 0.0 112.422 170.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mppt? -79.23 -10.05 59.72 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -96.04 -13.28 23.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.082 1.753 . . . . 0.0 113.956 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 111' ' ' VAL . 8.4 mt -53.81 137.13 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.262 1.425 . . . . 0.0 111.352 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -90.86 152.95 20.55 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 124.822 1.249 . . . . 0.0 113.246 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.7 p -88.46 155.46 19.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.105 1.762 . . . . 0.0 110.997 165.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 124.922 1.289 . . . . 0.0 112.089 -174.162 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.36 -24.77 63.66 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 119.037 -0.506 . . . . 0.0 112.228 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.13 -48.2 45.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.86 2.064 . . . . 0.0 115.745 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -66.67 -42.47 86.49 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -56.04 -36.59 68.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.814 0.846 . . . . 0.0 112.842 166.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.88 69.13 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.648 -1.283 . . . . 0.0 112.366 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -72.37 -36.02 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 120.723 1.601 . . . . 0.0 110.711 171.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -63.49 -62.87 1.39 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.183 -1.573 . . . . 0.0 111.093 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -40.47 97.08 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 124.616 1.166 . . . . 0.0 110.51 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.78 56.19 Favored Glycine 0 N--CA 1.467 0.703 0 CA-C-N 120.826 1.648 . . . . 0.0 113.503 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.21 -38.88 89.02 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.586 1.193 . . . . 0.0 112.187 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -65.25 -42.29 93.45 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.219 0.918 . . . . 0.0 112.783 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -81.09 -19.42 43.69 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 124.856 1.262 . . . . 0.0 112.226 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.66 -42.2 98.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.449 1.477 . . . . 0.0 111.523 166.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.96 -36.03 82.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.467 0.707 . . . . 0.0 111.372 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.149 0.98 . . . . 0.0 112.626 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.676 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -61.81 -26.73 68.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.979 1.712 . . . . 0.0 111.752 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.9 -24.85 39.87 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.454 1.102 . . . . 0.0 113.458 169.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -80.89 -25.32 37.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.858 -1.151 . . . . 0.0 112.589 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.54 -32.57 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.811 -1.181 . . . . 0.0 110.938 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.14 -38.74 71.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.225 0.61 . . . . 0.0 111.585 170.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.53 -42.96 64.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.172 0.989 . . . . 0.0 112.043 174.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -61.25 -36.48 80.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.096 1.317 . . . . 0.0 112.451 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -36.17 64.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.787 1.635 . . . . 0.0 112.171 172.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -29.87 34.19 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.54 1.518 . . . . 0.0 112.808 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.75 -27.87 62.28 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.471 1.108 . . . . 0.0 113.901 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -87.58 -45.47 10.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.573 1.149 . . . . 0.0 112.425 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HE2' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -87.03 11.46 13.64 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.451 1.101 . . . . 0.0 113.447 174.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.9 t -45.92 101.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.603 1.961 . . . . 0.0 113.459 -174.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -155.99 -72.74 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.883 1.273 . . . . 0.0 112.26 -171.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -146.64 -51.6 0.22 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.265 1.826 . . . . 0.0 113.09 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.01 -10.27 4.01 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 16.93 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 C-N-CA 130.591 3.556 . . . . 0.0 116.659 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -159.03 -13.49 0.06 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 129.369 3.068 . . . . 0.0 112.021 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -114.81 -46.76 2.92 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.185 1.794 . . . . 0.0 111.377 -171.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 tp -71.26 -27.0 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.37 -0.831 . . . . 0.0 111.74 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 tt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.487 0.715 . . . . 0.0 110.74 166.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -80.98 -35.28 32.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.124 0.97 . . . . 0.0 112.518 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.85 -47.57 65.63 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.32 0.963 . . . . 0.0 112.489 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -38.76 85.71 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.557 -0.714 . . . . 0.0 110.211 174.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -60.21 -36.03 76.75 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.696 1.134 . . . . 0.0 112.409 169.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -48.56 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.196 0.907 . . . . 0.0 110.92 174.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -74.76 -31.59 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.102 0.864 . . . . 0.0 111.782 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.12 -51.83 66.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.02 1.728 . . . . 0.0 111.399 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.92 78.64 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.774 -1.204 . . . . 0.0 112.736 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttp -67.7 -43.23 80.6 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.487 -0.758 . . . . 0.0 112.089 174.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -29.87 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.911 0.885 . . . . 0.0 112.197 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.91 -47.28 68.09 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.722 1.146 . . . . 0.0 111.188 165.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.08 -39.85 98.16 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.515 -0.74 . . . . 0.0 112.976 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.56 88.03 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.33 1.065 . . . . 0.0 113.228 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -65.52 -47.9 74.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.848 0.859 . . . . 0.0 110.891 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.4 59.78 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.939 1.257 . . . . 0.0 112.633 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.2 73.78 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 118.584 1.192 . . . . 0.0 113.157 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -48.37 79.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.964 0.802 . . . . 0.0 112.157 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -35.59 80.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.068 173.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -60.06 -47.39 86.08 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.212 1.823 . . . . 0.0 113.789 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.62 -41.53 86.1 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.058 0.543 . . . . 0.0 111.704 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.18 -35.91 66.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.297 1.039 . . . . 0.0 113.404 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -63.42 -30.42 71.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 119.971 -1.706 . . . . 0.0 112.581 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.46 -14.26 56.09 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.844 1.658 . . . . 0.0 113.83 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.9 p -129.16 36.84 4.12 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.587 2.355 . . . . 0.0 111.397 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -75.16 76.91 2.31 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.902 1.681 . . . . 0.0 111.946 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 -165.21 0.98 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.353 1.061 . . . . 0.0 111.047 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -73.6 -34.43 65.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.321 1.048 . . . . 0.0 112.972 -177.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.81 -26.82 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.865 0.866 . . . . 0.0 112.985 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -30.35 70.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.437 1.095 . . . . 0.0 112.256 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -67.24 -33.19 74.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.065 0.848 . . . . 0.0 112.275 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -84.16 -40.22 18.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.663 1.185 . . . . 0.0 111.86 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -30.69 71.76 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.596 0.758 . . . . 0.0 112.225 173.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 24.6 m-20 -48.01 -31.37 5.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.441 1.496 . . . . 0.0 113.35 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -52.1 -27.96 15.94 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -120.54 -33.52 3.82 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.066 1.346 . . . . 0.0 111.738 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -51.31 17.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.246 1.418 . . . . 0.0 112.005 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -61.89 -41.74 98.24 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.972 -1.08 . . . . 0.0 110.315 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -66.27 -27.51 68.0 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.257 -0.902 . . . . 0.0 112.693 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -47.59 85.33 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.125 0.875 . . . . 0.0 111.013 167.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.63 -38.88 92.52 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.547 1.067 . . . . 0.0 111.706 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.6 t -52.61 -43.0 65.08 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 120.092 1.314 . . . . 0.0 111.885 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -65.8 -32.59 74.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.033 -1.461 . . . . 0.0 113.184 171.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.3 mm -54.93 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 121.071 1.76 . . . . 0.0 110.798 172.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -38.52 79.66 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.394 2.361 . . . . 0.0 112.942 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.73 -41.99 82.58 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.8 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -63.83 -40.55 96.86 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 126.256 1.823 . . . . 0.0 111.738 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.42 -42.1 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.957 2.162 . . . . 0.0 111.827 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -56.45 9.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.52 1.128 . . . . 0.0 110.209 168.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -69.14 2.12 3.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.992 -1.692 . . . . 0.0 114.991 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.26 -70.45 0.71 Allowed 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 128.526 2.731 . . . . 0.0 107.079 165.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.676 HG22 HD12 ' A' ' 36' ' ' LEU . 30.5 m -80.26 -38.68 30.43 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.286 1.403 . . . . 0.0 113.451 -170.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.51 78.25 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.161 -1.587 . . . . 0.0 111.003 173.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -74.22 -42.52 59.63 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.866 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -54.29 -39.32 66.83 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 116.679 -1.629 . . . . 0.0 110.406 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.47 -53.79 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.442 1.473 . . . . 0.0 112.312 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -21.62 63.19 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 174.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.39 -13.81 57.88 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.835 1.654 . . . . 0.0 113.848 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.452 HG22 ' HE2' ' A' ' 47' ' ' LYS . 29.3 mt -52.56 129.62 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.921 1.288 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -83.07 160.07 22.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.595 1.188 . . . . 0.0 113.23 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.3 p -106.91 146.45 30.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.253 1.821 . . . . 0.0 110.234 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.39 0 C-N-CA 124.957 1.303 . . . . 0.0 112.127 -171.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.48 -30.26 12.35 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.278 -1.514 . . . . 0.0 113.173 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.65 63.17 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.924 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.58 -38.93 77.56 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.475 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -37.03 71.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 120.611 1.55 . . . . 0.0 112.858 171.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.29 -51.1 56.82 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.9 -34.68 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 119.99 1.268 . . . . 0.0 111.46 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.91 -59.81 3.77 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 120.737 -1.227 . . . . 0.0 109.684 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.73 -31.16 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 117.1 -1.428 . . . . 0.0 111.071 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.51 -52.1 22.96 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.911 1.687 . . . . 0.0 113.764 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.74 -34.22 77.69 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.844 -1.386 . . . . 0.0 112.936 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -72.27 -37.23 69.09 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.237 -1.539 . . . . 0.0 112.936 168.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.97 -24.31 66.76 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.745 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 121.956 2.162 . . . . 0.0 111.762 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.7 -43.02 76.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 112.163 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -70.56 -29.96 66.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.579 1.152 . . . . 0.0 113.378 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD23 ' HB ' ' A' ' 107' ' ' THR . 4.7 tp -76.77 -30.52 56.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.015 2.126 . . . . 0.0 111.759 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.76 -24.92 64.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 113.308 164.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -82.1 -28.17 32.46 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.711 1.142 . . . . 0.0 112.465 169.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -64.29 -27.4 69.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.924 -1.11 . . . . 0.0 112.636 173.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 HD23 ' A' ' 59' ' ' LEU . 4.5 mm? -51.83 -59.89 3.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.08 0.552 . . . . 0.0 110.326 165.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.93 -31.55 69.96 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -51.05 69.73 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.841 1.656 . . . . 0.0 112.101 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -32.03 32.19 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.137 -0.352 . . . . 0.0 111.692 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -57.24 -29.35 63.71 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 119.753 -1.842 . . . . 0.0 111.773 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.67 -17.75 62.22 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.93 -42.49 8.27 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.49 1.116 . . . . 0.0 111.825 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 13.42 8.96 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.364 1.466 . . . . 0.0 113.658 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 p -50.89 94.03 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.37 2.668 . . . . 0.0 112.8 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -138.73 -69.22 0.43 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.793 1.637 . . . . 0.0 111.174 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -148.95 -53.49 0.17 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.182 1.793 . . . . 0.0 111.848 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.03 -2.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -29.82 41.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.931 1.692 . . . . 0.0 113.37 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -111.29 7.98 21.26 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -119.93 -47.31 2.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.397 1.879 . . . . 0.0 111.321 -171.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.86 -27.11 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.592 0.757 . . . . 0.0 111.74 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tt -54.51 -43.92 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.641 1.176 . . . . 0.0 110.545 163.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -76.21 -37.23 58.04 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.865 0.757 . . . . 0.0 112.323 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -66.89 -47.1 72.86 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.25 0.932 . . . . 0.0 112.493 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 40' ' ' LEU . 27.9 tp -68.34 -38.33 81.4 Favored 'General case' 0 C--O 1.221 -0.436 0 O-C-N 121.922 -0.486 . . . . 0.0 111.222 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.54 -36.27 78.02 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.16 -0.963 . . . . 0.0 112.836 167.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -58.66 -46.32 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 119.343 0.974 . . . . 0.0 110.869 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.18 -25.26 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.909 0.777 . . . . 0.0 112.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -37.47 63.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.029 1.286 . . . . 0.0 113.244 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.04 -29.2 57.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.75 0.82 . . . . 0.0 112.348 171.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.9 ttt -73.41 -40.39 64.31 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.098 -1.001 . . . . 0.0 111.976 172.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tp -69.25 -31.1 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.51 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.57 -45.13 66.32 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.827 1.649 . . . . 0.0 111.862 165.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.9 -38.25 88.03 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 120.885 -1.134 . . . . 0.0 113.332 176.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.65 56.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.009 1.324 . . . . 0.0 113.073 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.19 -44.73 95.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.246 -0.909 . . . . 0.0 111.23 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.51 -45.49 89.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.3 1.905 . . . . 0.0 112.625 171.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.76 97.94 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.488 1.644 . . . . 0.0 112.931 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -45.23 81.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 112.768 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.82 -35.84 75.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.975 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -42.69 99.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.155 1.343 . . . . 0.0 113.169 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -64.39 -42.13 96.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.862 0.465 . . . . 0.0 111.345 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -36.5 84.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.252 1.021 . . . . 0.0 112.486 169.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -32.73 74.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.19 -1.569 . . . . 0.0 113.054 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -61.1 -19.06 61.02 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.626 1.17 . . . . 0.0 114.018 167.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -126.89 20.48 7.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.14 2.176 . . . . 0.0 113.351 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.33 72.53 0.08 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 127.593 2.357 . . . . 0.0 111.736 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.44 -173.75 2.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.725 1.61 . . . . 0.0 111.23 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -63.98 -31.9 73.25 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -58.14 -22.95 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -26.91 68.39 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.72 1.608 . . . . 0.0 113.414 175.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.17 -34.44 63.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.907 0.883 . . . . 0.0 112.347 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.48 -46.25 33.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.554 0.742 . . . . 0.0 110.428 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -29.28 69.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.228 1.011 . . . . 0.0 113.217 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -50.21 -28.11 7.03 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.734 1.614 . . . . 0.0 113.217 176.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -48.33 -32.86 8.02 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 171.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.48 -35.89 3.31 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.004 2.121 . . . . 0.0 113.251 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.0 -36.5 69.77 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.353 -1.467 . . . . 0.0 112.752 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -63.34 -30.29 71.45 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 120.492 -1.38 . . . . 0.0 111.764 171.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -80.29 -36.83 33.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.339 1.056 . . . . 0.0 112.151 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -40.69 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.7 -36.6 76.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.536 169.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.1 p -62.4 -33.68 75.24 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 122.641 2.473 . . . . 0.0 112.932 170.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.89 -31.69 72.0 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 116.23 -1.843 . . . . 0.0 112.403 164.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mt -63.63 -46.1 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 123.197 2.726 . . . . 0.0 113.008 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.08 92.16 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 121.019 1.736 . . . . 0.0 111.635 176.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.8 tp -63.51 -37.77 88.58 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.25 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.51 -46.18 84.08 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -39.3 94.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 120.997 1.726 . . . . 0.0 112.242 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.51 -62.18 2.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.523 1.529 . . . . 0.0 110.05 166.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -70.46 -0.21 7.93 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.421 -2.049 . . . . 0.0 115.212 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.71 -67.56 0.82 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.397 2.279 . . . . 0.0 107.554 162.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.484 ' HB ' HD23 ' A' ' 36' ' ' LEU . 16.9 m -92.16 -31.75 15.36 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -167.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -42.33 98.04 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.73 1.605 . . . . 0.0 110.696 165.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -80.53 -38.29 29.98 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.344 -0.848 . . . . 0.0 110.513 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -56.62 -35.71 68.62 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 116.287 -1.816 . . . . 0.0 111.138 163.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.74 -50.96 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 121.11 1.777 . . . . 0.0 111.747 172.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -76.45 -13.03 60.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.32 -10.6 37.72 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.404 1.881 . . . . 0.0 113.866 173.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 mt -51.94 132.98 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.713 1.605 . . . . 0.0 110.107 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -98.59 148.63 23.6 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 122.3 1.048 . . . . 0.0 111.463 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.2 p -90.69 146.37 24.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.71 1.604 . . . . 0.0 111.42 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.847 1.659 . . . . 0.0 112.692 -170.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -52.49 -25.89 11.46 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.146 -1.596 . . . . 0.0 113.212 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -60.29 4.06 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 167.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.37 -43.45 98.8 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.358 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.28 -33.48 74.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.224 0.92 . . . . 0.0 112.728 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.78 12.61 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.478 172.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.61 -36.57 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 120.041 1.291 . . . . 0.0 111.779 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.15 -55.7 29.28 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 119.62 -1.925 . . . . 0.0 111.316 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -50.12 68.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.227 175.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.74 -50.37 68.31 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 125.6 1.572 . . . . 0.0 114.378 -175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.54 -36.34 78.2 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.676 1.238 . . . . 0.0 111.812 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -72.8 -34.15 66.7 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.654 -0.654 . . . . 0.0 111.792 171.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -22.53 66.6 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 116.436 -1.745 . . . . 0.0 111.753 170.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.23 -21.94 65.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.878 2.126 . . . . 0.0 112.674 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -25.11 17.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 169.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -40.89 34.35 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 111.971 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.905 HD13 HG21 ' A' ' 107' ' ' THR . 2.7 pp -56.67 -21.72 29.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.045 1.338 . . . . 0.0 113.671 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.482 ' N ' HD12 ' A' ' 36' ' ' LEU . 69.3 mt-30 -59.17 -26.18 64.57 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.269 1.028 . . . . 0.0 111.394 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -69.31 -38.58 78.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.114 0.966 . . . . 0.0 113.011 168.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -66.06 -30.94 71.56 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.718 -1.239 . . . . 0.0 112.577 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.611 HD11 HD23 ' A' ' 59' ' ' LEU . 4.4 mm? -57.51 -46.59 83.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.802 0.728 . . . . 0.0 111.011 168.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.9 -41.2 95.8 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.451 1.023 . . . . 0.0 112.983 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -40.83 81.26 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.046 -1.034 . . . . 0.0 111.913 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -75.5 -35.88 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.064 1.345 . . . . 0.0 111.442 172.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -31.43 60.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.028 1.74 . . . . 0.0 112.045 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.7 -22.48 62.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.83 1.252 . . . . 0.0 113.43 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.65 -50.09 6.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.502 1.121 . . . . 0.0 111.72 173.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -81.42 13.72 2.84 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.698 1.199 . . . . 0.0 113.933 177.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.64 91.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.546 1.938 . . . . 0.0 113.194 -171.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -141.27 -65.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.251 1.42 . . . . 0.0 112.401 -170.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -143.99 -54.52 0.36 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.477 1.511 . . . . 0.0 111.059 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.38 11.18 2.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.11 -23.84 1.4 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.781 2.033 . . . . 0.0 115.662 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.05 8.08 7.32 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.39 1.076 . . . . 0.0 113.03 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -114.0 -41.58 3.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.7 tp -73.93 -29.45 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 119.735 1.152 . . . . 0.0 110.776 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.6 tt -51.61 -49.08 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.823 0.849 . . . . 0.0 109.95 164.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -69.99 -39.68 75.78 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.805 0.842 . . . . 0.0 113.091 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.33 -52.31 64.18 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.108 1.322 . . . . 0.0 111.76 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.611 HD23 HD11 ' A' ' 40' ' ' LEU . 41.0 tp -69.74 -35.3 74.85 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.469 -0.769 . . . . 0.0 112.105 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.3 -40.27 85.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.879 0.872 . . . . 0.0 112.91 166.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 t -61.14 -43.78 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -33.48 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.288 1.404 . . . . 0.0 112.768 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.26 79.57 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.756 1.162 . . . . 0.0 111.788 176.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.73 69.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.43 -1.419 . . . . 0.0 112.088 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.3 tpt -63.52 -45.98 88.13 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.404 0.681 . . . . 0.0 111.39 169.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -28.79 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 121.631 -0.668 . . . . 0.0 112.176 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -26.99 62.29 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.495 1.118 . . . . 0.0 112.352 170.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.11 -23.15 78.26 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 120.946 -1.096 . . . . 0.0 114.53 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.864 1.332 . . . . 0.0 112.261 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -24.54 66.08 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.341 -0.849 . . . . 0.0 112.476 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.7 67.2 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.088 0.852 . . . . 0.0 113.321 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.56 -33.56 58.51 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.109 0.955 . . . . 0.0 112.03 166.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -36.63 76.67 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.004 0.922 . . . . 0.0 112.282 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -27.75 64.72 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.392 -1.442 . . . . 0.0 113.325 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -42.64 68.49 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.081 1.752 . . . . 0.0 112.527 174.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.47 -35.67 80.04 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.845 -0.598 . . . . 0.0 111.018 170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -31.29 64.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -73.79 -30.04 62.52 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.07 0.948 . . . . 0.0 112.893 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -80.83 -30.41 35.76 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.246 1.418 . . . . 0.0 112.28 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.2 p -129.62 74.75 1.61 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.307 2.243 . . . . 0.0 109.828 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.45 168.09 0.42 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.073 0.949 . . . . 0.0 112.113 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.59 49.28 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.897 1.679 . . . . 0.0 114.38 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -120.4 -59.59 1.76 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.604 1.961 . . . . 0.0 111.339 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.33 -32.62 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.645 -0.66 . . . . 0.0 111.321 168.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -21.63 66.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.309 0.643 . . . . 0.0 112.173 -178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.8 -44.81 86.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.473 1.109 . . . . 0.0 113.038 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -35.58 28.06 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.354 0.524 . . . . 0.0 111.96 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -18.44 64.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.79 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.1 m-80 -44.52 -31.4 1.1 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.363 1.438 . . . . 0.0 113.171 170.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -51.73 -25.4 7.36 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -131.16 -30.83 1.71 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.289 1.436 . . . . 0.0 112.354 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.29 -43.3 61.23 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.211 1.404 . . . . 0.0 112.242 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -62.16 -32.88 73.54 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 120.587 -1.32 . . . . 0.0 110.989 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -74.85 -39.7 61.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.416 1.087 . . . . 0.0 112.119 175.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -41.46 75.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.586 1.085 . . . . 0.0 111.628 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.37 -34.14 70.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.34 -0.85 . . . . 0.0 111.513 171.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 100' ' ' LEU . 22.8 t -61.09 -28.18 68.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.878 1.672 . . . . 0.0 112.297 168.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.54 -31.64 69.96 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.635 -1.65 . . . . 0.0 112.777 165.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.71 -46.51 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.313 2.324 . . . . 0.0 112.239 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -67.37 -41.21 85.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.42 1.918 . . . . 0.0 111.75 177.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.56 -37.16 84.36 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.774 -0.579 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -62.83 -43.94 97.47 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-O 116.6 -1.667 . . . . 0.0 111.692 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.3 77.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 122.801 2.546 . . . . 0.0 112.473 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.65 -60.73 2.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.332 0.653 . . . . 0.0 111.207 166.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -66.59 -4.71 9.24 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 119.466 -2.021 . . . . 0.0 114.246 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.594 1.958 . . . . 0.0 108.075 165.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.905 HG21 HD13 ' A' ' 36' ' ' LEU . 15.5 m -91.68 -42.31 10.24 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -170.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.04 81.33 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 121.132 1.787 . . . . 0.0 111.74 167.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.64 -46.04 55.97 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.138 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -55.06 -34.83 63.9 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.962 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.461 ' HA ' HD12 ' A' ' 114' ' ' ILE . 1.2 t -53.0 -50.97 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 120.671 1.578 . . . . 0.0 111.206 174.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -75.8 -16.15 60.14 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.789 -1.194 . . . . 0.0 113.351 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.99 -19.76 33.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.788 1.635 . . . . 0.0 114.0 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 111' ' ' VAL . 16.7 mt -51.36 129.34 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 110.277 -175.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -91.35 154.87 18.91 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 122.101 0.953 . . . . 0.0 113.386 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.5 p -92.98 138.46 31.46 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 125.236 1.414 . . . . 0.0 110.796 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 . . . . . 0 C--O 1.255 1.344 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -170.229 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -27.74 10.36 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.628 -1.295 . . . . 0.0 113.212 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.51 -55.7 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.833 0.742 . . . . 0.0 112.677 170.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.16 -38.5 88.23 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.256 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -61.13 -34.37 74.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.598 1.09 . . . . 0.0 113.465 171.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.82 68.19 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.253 0.933 . . . . 0.0 112.219 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.31 -40.4 77.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-N 119.602 1.092 . . . . 0.0 110.681 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.04 -59.46 5.05 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 121.468 1.94 . . . . 0.0 111.696 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -62.25 -43.27 99.2 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.686 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.462 ' O ' HD13 ' A' ' 33' ' ' LEU . . . -59.86 -56.94 21.98 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 119.991 1.269 . . . . 0.0 113.335 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.63 -35.44 77.9 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.786 1.634 . . . . 0.0 112.607 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -70.84 -44.04 67.28 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.065 -1.022 . . . . 0.0 111.606 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.47 -26.9 68.93 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-O 117.364 -1.303 . . . . 0.0 112.051 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 103' ' ' ASP . 3.5 mp -63.9 -32.12 73.53 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 121.824 2.102 . . . . 0.0 112.456 176.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.92 95.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.51 0.724 . . . . 0.0 110.882 165.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.63 -33.46 66.65 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.254 1.021 . . . . 0.0 113.21 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -63.01 -25.06 68.21 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.751 2.42 . . . . 0.0 110.634 178.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.73 -21.49 41.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.986 0.914 . . . . 0.0 113.418 167.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -78.39 -27.35 46.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.603 -1.311 . . . . 0.0 111.762 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -67.33 -27.8 67.44 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.863 0.865 . . . . 0.0 111.845 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.09 -57.28 12.81 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.29 -0.862 . . . . 0.0 108.822 165.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -39.81 77.54 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -44.51 93.7 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.212 -0.93 . . . . 0.0 112.894 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD12 HD12 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -80.41 -39.71 27.81 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.457 1.103 . . . . 0.0 109.976 177.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.62 -26.89 67.36 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.282 1.033 . . . . 0.0 112.108 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.48 -23.05 66.2 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 166.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -95.17 -43.59 8.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.357 1.063 . . . . 0.0 112.054 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 11.21 13.68 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.884 1.273 . . . . 0.0 113.703 175.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -44.18 86.26 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 129.257 3.023 . . . . 0.0 115.348 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -127.35 -59.76 1.22 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.12 1.368 . . . . 0.0 112.427 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.32 -53.04 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.916 1.287 . . . . 0.0 111.74 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mp -66.62 -0.28 2.76 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -51.2 -28.43 11.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.093 1.757 . . . . 0.0 114.186 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -120.36 12.69 11.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.548 1.139 . . . . 0.0 112.262 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -119.69 -49.98 2.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.932 1.693 . . . . 0.0 111.605 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.78 -25.11 25.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.72 -0.612 . . . . 0.0 111.875 174.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.29 -44.05 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.289 0.95 . . . . 0.0 110.703 163.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mmm-85 -81.54 -38.98 25.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.346 1.058 . . . . 0.0 112.609 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.08 -46.48 70.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.196 0.998 . . . . 0.0 112.03 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD23 HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -69.23 -42.1 76.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.517 174.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.0 -38.69 70.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.627 1.558 . . . . 0.0 112.739 170.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -46.58 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.28 -0.887 . . . . 0.0 110.832 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG12 HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -79.28 -28.44 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.664 0.665 . . . . 0.0 112.659 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.49 -45.32 72.65 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.112 1.765 . . . . 0.0 111.163 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.71 69.43 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.268 1.027 . . . . 0.0 112.674 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.3 ttt -71.17 -43.35 67.66 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.112 -0.993 . . . . 0.0 112.226 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 tp -68.4 -38.45 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.594 172.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.77 -47.53 50.93 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 111.469 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.25 -36.4 68.77 Favored Glycine 0 CA--C 1.54 1.597 0 O-C-N 120.293 -1.504 . . . . 0.0 114.223 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.41 64.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.405 1.082 . . . . 0.0 113.395 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -61.61 -44.18 97.48 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.257 -0.902 . . . . 0.0 111.518 168.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.29 -47.19 50.91 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.41 1.005 . . . . 0.0 111.642 168.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.64 99.67 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.868 1.334 . . . . 0.0 113.856 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -50.15 71.48 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.253 0.933 . . . . 0.0 112.162 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -68.01 -32.15 72.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.63 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.29 95.16 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.662 1.185 . . . . 0.0 113.192 173.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.72 -42.2 86.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.455 0.57 . . . . 0.0 110.544 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.56 -37.91 88.01 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.323 169.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.33 1.38 0.52 Allowed 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 121.308 1.867 . . . . 0.0 115.26 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -110.57 -5.28 15.12 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.553 1.541 . . . . 0.0 112.647 168.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -139.03 35.28 2.13 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.792 2.437 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -105.95 104.56 14.29 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 110.14 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -123.13 -159.29 0.83 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.12 1.368 . . . . 0.0 109.563 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -76.7 -26.0 54.22 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.995 -1.066 . . . . 0.0 112.529 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -54.21 -24.29 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 171.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -32.95 66.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.886 1.221 . . . . 0.0 112.687 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.35 -29.23 70.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.514 0.726 . . . . 0.0 112.55 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -93.26 -42.93 9.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.963 1.305 . . . . 0.0 111.68 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.82 -25.95 67.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.888 1.275 . . . . 0.0 112.315 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -46.9 -29.65 2.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -50.93 -27.92 8.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.05 -32.98 2.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.472 1.909 . . . . 0.0 112.738 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.35 -39.79 71.09 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.434 -1.416 . . . . 0.0 113.235 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.93 -33.69 75.87 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 119.138 0.881 . . . . 0.0 110.42 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -73.99 -41.54 61.77 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.37 1.068 . . . . 0.0 112.673 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -42.9 86.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.668 1.122 . . . . 0.0 111.672 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.85 -32.52 69.56 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.71 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -56.59 -42.65 79.05 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 121.963 2.165 . . . . 0.0 111.699 170.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -59.17 -29.75 67.68 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 116.897 -1.525 . . . . 0.0 112.883 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.49 -52.37 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 121.487 1.949 . . . . 0.0 111.086 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -38.92 72.21 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.347 1.43 . . . . 0.0 111.618 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.74 -37.98 64.92 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 116.773 -1.584 . . . . 0.0 112.09 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -56.8 -43.98 81.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.264 1.826 . . . . 0.0 111.009 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.682 ' HB3' HD11 ' A' ' 33' ' ' LEU . 15.8 m-20 -71.35 -37.15 71.69 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.182 0.593 . . . . 0.0 111.303 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 mp -65.17 -60.18 3.29 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.622 0.769 . . . . 0.0 111.103 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -6.37 6.76 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 118.186 -2.821 . . . . 0.0 115.17 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.18 -69.93 0.5 Allowed 'General case' 0 C--O 1.22 -0.462 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 156.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.603 HG22 HD12 ' A' ' 36' ' ' LEU . 56.3 m -81.72 -42.59 19.63 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.233 1.379 . . . . 0.0 114.608 -168.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -46.18 88.79 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.623 1.569 . . . . 0.0 111.691 170.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.02 -39.66 55.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.051 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -54.93 -38.46 67.7 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 116.583 -1.675 . . . . 0.0 110.446 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.74 -52.33 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 120.484 1.493 . . . . 0.0 111.93 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -14.59 61.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -91.02 -9.36 46.2 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.549 1.939 . . . . 0.0 114.108 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.423 HD12 HD12 ' A' ' 43' ' ' LEU . 33.0 mt -52.87 137.26 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 110.485 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -100.39 146.4 27.04 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.372 1.069 . . . . 0.0 112.135 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 p -85.48 123.02 30.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.984 1.314 . . . . 0.0 111.168 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.38 1.872 . . . . 0.0 115.553 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.58 -29.05 64.15 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.517 -0.74 . . . . 0.0 111.532 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -63.94 -56.66 13.6 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.986 1.315 . . . . 0.0 113.463 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -68.75 -39.81 80.12 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.01 -32.34 70.79 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.244 0.929 . . . . 0.0 112.654 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.51 59.91 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.939 0.79 . . . . 0.0 112.515 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.93 -36.18 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 120.11 1.323 . . . . 0.0 111.007 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.85 -48.74 65.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 119.883 -1.761 . . . . 0.0 111.6 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.16 -33.66 38.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 117.359 -1.305 . . . . 0.0 112.776 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.16 51.03 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 119.941 1.246 . . . . 0.0 112.828 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.13 -39.8 90.15 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.04 1.336 . . . . 0.0 111.576 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.02 -46.64 88.28 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 0.0 111.804 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.63 -18.0 63.56 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.168 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.36 -39.53 89.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.712 1.596 . . . . 0.0 110.532 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.85 -41.27 97.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.218 1.007 . . . . 0.0 112.635 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -66.88 -30.55 70.74 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.829 1.195 . . . . 0.0 113.031 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.46 HD13 ' HB ' ' A' ' 107' ' ' THR . 0.7 OUTLIER -63.74 -27.4 69.17 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.343 1.057 . . . . 0.0 112.038 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -55.72 -20.31 14.02 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.554 1.142 . . . . 0.0 113.733 168.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -83.65 -25.79 30.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.935 -1.103 . . . . 0.0 113.016 171.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -68.0 -27.0 66.18 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.745 -1.222 . . . . 0.0 112.0 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.09 -38.91 68.71 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.381 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -42.12 79.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.73 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -35.25 69.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.273 1.029 . . . . 0.0 112.543 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -35.9 25.21 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.631 1.972 . . . . 0.0 111.611 175.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.82 61.45 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.83 1.195 . . . . 0.0 112.539 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.74 -22.34 65.23 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.245 1.418 . . . . 0.0 114.676 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.06 -42.99 8.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.878 1.271 . . . . 0.0 111.684 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -91.81 19.47 6.51 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.472 1.509 . . . . 0.0 113.938 179.007 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 p -57.14 80.11 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 128.551 2.74 . . . . 0.0 114.593 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -131.57 -68.66 0.64 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.477 1.511 . . . . 0.0 111.996 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -145.83 -54.66 0.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.444 . . . . 0.0 111.089 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.54 6.06 2.64 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -52.46 -27.54 16.53 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.182 1.393 . . . . 0.0 113.785 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -116.83 12.03 14.65 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.889 1.275 . . . . 0.0 112.727 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -120.96 -47.52 2.28 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.112 1.765 . . . . 0.0 112.452 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.6 tp -73.29 -27.42 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 121.326 -0.859 . . . . 0.0 111.21 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -53.34 -39.84 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.63 0.772 . . . . 0.0 111.381 163.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -77.48 -39.26 47.13 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.415 1.086 . . . . 0.0 112.124 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.31 -45.18 66.77 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.567 1.076 . . . . 0.0 113.367 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -39.75 91.76 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.796 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -57.63 -43.55 84.92 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.22 1.373 . . . . 0.0 112.192 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.92 -46.25 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.859 -1.151 . . . . 0.0 112.063 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -30.51 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.629 0.65 . . . . 0.0 112.512 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.2 t -64.29 -52.1 60.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.985 2.114 . . . . 0.0 111.567 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.98 74.75 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 112.495 174.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ttt -67.82 -47.36 69.27 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.154 -0.966 . . . . 0.0 112.005 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -33.35 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 121.616 -0.677 . . . . 0.0 111.76 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.64 -53.72 53.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.233 1.413 . . . . 0.0 110.51 168.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.51 -36.63 71.38 Favored Glycine 0 CA--C 1.54 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 113.398 173.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.53 86.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.252 1.026 . . . . 0.0 113.209 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.82 -38.01 89.53 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.598 1.09 . . . . 0.0 111.256 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.41 -40.57 54.11 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.434 1.492 . . . . 0.0 113.833 169.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.27 72.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.9 1.35 . . . . 0.0 112.729 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -48.89 76.22 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.994 0.918 . . . . 0.0 112.144 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.41 -33.22 75.45 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.293 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -65.93 -45.51 81.59 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.002 1.274 . . . . 0.0 112.807 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.73 -38.59 85.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.199 0.454 . . . . 0.0 111.924 171.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -35.31 74.55 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.81 -23.23 67.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.56 1.544 . . . . 0.0 113.738 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -79.19 -5.46 54.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.132 1.373 . . . . 0.0 113.976 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.8 t -129.78 34.74 4.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.808 1.643 . . . . 0.0 111.665 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 63.43 0.3 Allowed 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.574 1.55 . . . . 0.0 112.803 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 -179.29 3.9 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.014 1.325 . . . . 0.0 112.131 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.7 -33.45 71.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.397 1.479 . . . . 0.0 113.681 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.97 -25.11 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.056 -1.028 . . . . 0.0 113.618 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.2 -24.43 64.94 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.794 0.837 . . . . 0.0 112.255 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.83 -33.99 62.26 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.199 1.363 . . . . 0.0 112.028 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -50.43 32.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.345 1.058 . . . . 0.0 111.149 169.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.72 -22.21 64.35 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.746 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -50.91 -28.22 9.21 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.842 1.656 . . . . 0.0 112.892 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.12 -36.24 18.41 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.972 0.806 . . . . 0.0 112.998 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.42 -39.8 3.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.636 1.174 . . . . 0.0 112.306 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.47 -43.95 88.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.802 1.183 . . . . 0.0 113.538 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.518 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -65.77 -35.34 80.44 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 120.012 1.278 . . . . 0.0 111.536 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -73.58 -28.33 61.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.623 0.769 . . . . 0.0 112.183 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.21 -47.09 84.0 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.583 -1.323 . . . . 0.0 110.396 167.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.57 -40.04 95.95 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.662 171.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -59.15 -33.49 70.97 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.101 1.773 . . . . 0.0 112.966 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -28.55 67.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 117.153 -1.403 . . . . 0.0 112.614 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.4 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 121.477 1.944 . . . . 0.0 111.948 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -37.87 88.92 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 121.389 1.904 . . . . 0.0 112.019 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.94 -42.16 66.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.305 0.642 . . . . 0.0 109.767 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -53.71 -46.83 70.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.501 1.92 . . . . 0.0 112.059 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -61.59 -39.73 92.26 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.184 1.356 . . . . 0.0 112.099 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.12 -64.25 0.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.981 0.912 . . . . 0.0 111.098 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 1.2 4.01 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 121.056 1.753 . . . . 0.0 115.417 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -81.87 -70.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.774 1.229 . . . . 0.0 108.156 157.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.46 ' HB ' HD13 ' A' ' 36' ' ' LEU . 47.2 m -85.3 -32.54 22.46 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -165.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -39.58 72.7 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.091 -1.631 . . . . 0.0 112.074 168.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -41.96 63.05 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.329 -0.857 . . . . 0.0 109.814 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -54.38 -38.85 66.62 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.122 -1.418 . . . . 0.0 111.375 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.15 -49.92 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 120.796 1.634 . . . . 0.0 112.146 170.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -76.28 -13.89 60.14 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -93.2 -14.49 27.04 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.386 1.875 . . . . 0.0 113.646 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.434 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 20.3 mt -52.73 141.16 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.628 1.171 . . . . 0.0 110.59 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -111.85 158.75 19.05 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.384 1.088 . . . . 0.0 112.649 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 p -95.66 128.85 42.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.896 1.678 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.444 1.897 . . . . 0.0 115.131 -164.134 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -26.69 36.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.862 -1.149 . . . . 0.0 112.064 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -60.43 -57.33 13.2 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.305 1.042 . . . . 0.0 112.619 167.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -62.95 -45.09 94.12 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.384 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -60.73 -32.45 71.72 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.7 -53.65 55.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.863 1.21 . . . . 0.0 111.497 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.61 -38.67 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.631 1.105 . . . . 0.0 111.894 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -42.97 98.96 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 119.325 -2.109 . . . . 0.0 112.186 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -83.88 -39.45 19.86 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.07 173.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.98 11.76 Favored Glycine 0 N--CA 1.469 0.884 0 C-N-CA 124.556 1.074 . . . . 0.0 113.046 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.99 -32.23 67.69 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.684 1.194 . . . . 0.0 112.954 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -70.58 -47.61 59.39 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.238 0.926 . . . . 0.0 112.624 170.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -71.57 -13.7 61.86 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.682 1.193 . . . . 0.0 113.456 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.406 HD11 ' CB ' ' A' ' 103' ' ' ASP . 3.6 mp -67.67 -30.78 70.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.328 1.451 . . . . 0.0 111.979 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.05 -34.39 76.37 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.752 -0.593 . . . . 0.0 112.253 163.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -40.23 94.51 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.341 -0.85 . . . . 0.0 111.029 170.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -55.74 -29.34 59.39 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.17 1.388 . . . . 0.0 112.356 -178.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -56.82 -20.2 21.35 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 120.403 -1.436 . . . . 0.0 114.323 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -83.57 -29.03 28.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.909 1.683 . . . . 0.0 112.82 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -58.09 -32.6 68.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.072 0.851 . . . . 0.0 110.435 169.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.7 -41.19 90.22 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 119.351 0.978 . . . . 0.0 111.544 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -40.7 68.04 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.386 1.074 . . . . 0.0 113.016 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.58 -35.65 80.19 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.686 -1.259 . . . . 0.0 111.956 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -32.09 45.0 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.365 1.466 . . . . 0.0 112.522 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.59 54.02 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.285 1.857 . . . . 0.0 112.344 176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.47 -18.0 64.31 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.483 1.513 . . . . 0.0 114.771 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -38.41 8.66 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.197 1.399 . . . . 0.0 112.11 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 18.72 10.74 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.506 1.523 . . . . 0.0 113.442 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 p -54.77 87.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 128.281 2.632 . . . . 0.0 114.434 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -138.79 -72.3 0.4 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.585 1.554 . . . . 0.0 111.637 -171.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -149.71 -56.35 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.191 1.396 . . . . 0.0 110.855 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.96 0.99 1.56 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.34 -33.14 28.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.951 1.7 . . . . 0.0 115.067 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.73 8.08 20.54 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.347 1.059 . . . . 0.0 112.87 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -118.87 -44.85 2.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.983 1.713 . . . . 0.0 112.117 -171.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.4 tp -70.85 -30.21 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.642 0.777 . . . . 0.0 110.936 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 tt -50.81 -41.93 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.461 165.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.07 -39.94 54.31 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.257 1.023 . . . . 0.0 113.393 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.06 -49.06 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.881 1.219 . . . . 0.0 112.914 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -34.37 72.19 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.559 -0.713 . . . . 0.0 111.652 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.12 -39.52 86.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.634 1.106 . . . . 0.0 111.875 166.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -45.73 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.374 0.988 . . . . 0.0 110.312 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -33.76 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 118.812 0.733 . . . . 0.0 112.821 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.05 -44.42 80.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.213 1.405 . . . . 0.0 111.864 175.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.91 -35.35 74.51 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.64 1.176 . . . . 0.0 112.534 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -48.63 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.851 0.86 . . . . 0.0 111.525 173.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -38.41 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.845 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -52.09 -40.9 61.92 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.401 1.08 . . . . 0.0 112.336 167.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.51 98.49 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.205 -1.559 . . . . 0.0 113.826 171.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.68 58.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.487 1.115 . . . . 0.0 113.939 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -60.75 -43.89 97.4 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.222 -0.924 . . . . 0.0 111.242 168.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.05 -37.66 54.41 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.793 1.187 . . . . 0.0 113.533 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.93 -43.63 64.97 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.941 1.371 . . . . 0.0 113.066 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -47.51 82.43 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.262 0.625 . . . . 0.0 112.165 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.21 -34.76 76.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.117 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -57.13 -47.25 81.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.884 1.22 . . . . 0.0 112.254 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.89 -40.95 97.71 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.399 0.28 . . . . 0.0 111.405 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -37.04 83.41 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -27.24 68.04 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.758 1.223 . . . . 0.0 112.887 175.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -75.77 -20.42 58.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.752 1.621 . . . . 0.0 113.18 171.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.9 p -122.83 39.77 3.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.99 2.116 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.83 85.78 4.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.975 1.71 . . . . 0.0 111.56 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.4 -171.23 2.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.714 1.605 . . . . 0.0 111.18 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -72.71 -25.2 61.14 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.399 -1.438 . . . . 0.0 113.65 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.55 -28.38 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 172.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -30.23 68.76 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.621 1.168 . . . . 0.0 111.631 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.86 -30.9 68.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.571 1.078 . . . . 0.0 113.005 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -42.86 14.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.88 1.272 . . . . 0.0 110.816 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -21.81 64.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 117.261 -1.352 . . . . 0.0 112.111 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -45.87 -33.84 3.45 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.2 1.8 . . . . 0.0 112.422 177.36 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -47.9 -27.24 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -129.77 -30.14 2.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.384 1.873 . . . . 0.0 112.481 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -74.25 -42.23 60.0 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.479 -1.388 . . . . 0.0 112.764 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -62.47 -32.21 73.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.889 0.768 . . . . 0.0 110.999 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.91 -38.15 38.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.925 1.29 . . . . 0.0 112.682 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -42.45 82.83 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.55 -1.344 . . . . 0.0 110.867 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.27 -32.17 64.5 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.33 -1.319 . . . . 0.0 112.8 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 p -57.92 -42.88 85.73 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 122.384 2.357 . . . . 0.0 111.007 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -56.85 -33.16 66.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 116.574 -1.679 . . . . 0.0 113.428 169.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mm -59.29 -57.22 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 121.56 1.982 . . . . 0.0 110.801 173.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -40.58 87.52 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.429 1.468 . . . . 0.0 112.662 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.45 -41.74 93.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 111.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -63.45 -44.11 95.44 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 125.863 1.665 . . . . 0.0 110.969 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.406 ' CB ' HD11 ' A' ' 33' ' ' LEU . 44.3 m-20 -63.64 -36.62 84.43 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 121.219 1.827 . . . . 0.0 111.776 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.03 -58.21 6.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.657 0.783 . . . . 0.0 111.086 165.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -65.04 -3.41 3.57 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 119.458 -2.026 . . . . 0.0 114.67 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.94 -73.59 0.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.735 2.014 . . . . 0.0 106.995 163.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 36' ' ' LEU . 14.0 m -77.69 -36.68 50.89 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.959 1.254 . . . . 0.0 113.645 -168.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.98 -41.31 78.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.348 1.459 . . . . 0.0 111.036 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -79.87 -39.08 31.33 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.468 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -54.49 -39.38 67.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 116.243 -1.837 . . . . 0.0 110.584 163.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.65 -51.79 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 120.98 1.718 . . . . 0.0 111.978 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -66.46 -28.47 68.62 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.043 -1.036 . . . . 0.0 113.229 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.56 -7.74 59.63 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.473 1.909 . . . . 0.0 114.599 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.1 mt -54.81 134.13 18.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 124.114 0.965 . . . . 0.0 109.827 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -91.44 152.1 20.52 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 122.555 1.169 . . . . 0.0 112.031 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.3 p -85.85 149.8 24.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.002 1.321 . . . . 0.0 110.894 168.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.72 -1.609 . . . . 0.0 113.219 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -45.52 -35.77 4.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -61.02 -53.83 52.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.134 0.879 . . . . 0.0 113.282 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.4 -46.84 68.89 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 123.625 0.77 . . . . 0.0 109.839 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -57.29 -36.23 70.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.106 0.866 . . . . 0.0 113.079 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.23 90.79 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.762 1.165 . . . . 0.0 112.894 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.9 -30.63 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.219 1.827 . . . . 0.0 112.715 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.12 -52.39 59.38 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.82 -1.175 . . . . 0.0 110.679 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -76.38 -34.45 58.89 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.888 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.0 -47.51 73.31 Favored Glycine 0 N--CA 1.466 0.663 0 CA-C-N 119.839 1.2 . . . . 0.0 113.328 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 33' ' ' LEU . 29.2 mt-10 -70.93 -30.74 67.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.315 1.558 . . . . 0.0 112.921 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -76.64 -35.92 57.72 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.159 -0.963 . . . . 0.0 112.309 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.07 -15.06 52.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.799 1.24 . . . . 0.0 112.75 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 30' ' ' GLU . 4.1 mt -59.84 -46.45 89.22 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 121.118 1.781 . . . . 0.0 110.225 166.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.83 -49.73 75.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.688 0.795 . . . . 0.0 110.75 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -59.05 -33.81 71.2 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.451 -0.78 . . . . 0.0 112.677 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD13 ' HB ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -56.2 -25.99 49.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.934 2.094 . . . . 0.0 112.505 178.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.26 -30.45 68.29 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.37 1.068 . . . . 0.0 112.546 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -74.12 -24.49 59.46 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.946 -1.096 . . . . 0.0 112.68 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -18.94 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.298 1.439 . . . . 0.0 112.674 172.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.61 -31.89 69.03 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.131 -0.98 . . . . 0.0 110.847 164.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.03 -42.97 56.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.287 1.035 . . . . 0.0 112.705 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -61.85 -30.57 70.94 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.976 -1.078 . . . . 0.0 112.46 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -36.19 58.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.435 1.894 . . . . 0.0 111.673 172.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -23.64 25.42 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.889 1.222 . . . . 0.0 113.156 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -72.4 -30.93 65.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.941 1.296 . . . . 0.0 114.176 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -83.01 -50.82 8.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.149 1.38 . . . . 0.0 111.937 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -85.61 17.38 3.31 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 179.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -55.12 88.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.404 2.282 . . . . 0.0 113.739 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -137.49 -71.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.639 1.576 . . . . 0.0 112.168 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -147.98 -54.17 0.2 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.242 1.417 . . . . 0.0 112.037 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.99 -0.92 2.61 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -52.32 -24.62 7.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.803 2.041 . . . . 0.0 115.295 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.51 10.91 13.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.031 1.332 . . . . 0.0 112.851 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.34 -47.73 1.99 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.361 1.864 . . . . 0.0 112.039 -172.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.74 -25.39 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.583 -0.698 . . . . 0.0 111.8 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.7 tt -51.89 -42.05 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.11 0.564 . . . . 0.0 110.609 163.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -74.72 -36.53 62.69 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.387 1.075 . . . . 0.0 112.355 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.14 -50.35 64.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.801 0.84 . . . . 0.0 112.379 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mt -70.27 -32.9 70.92 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.503 -0.748 . . . . 0.0 111.881 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.62 -39.31 80.11 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.535 1.061 . . . . 0.0 112.119 165.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -59.9 -46.76 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.416 1.007 . . . . 0.0 111.264 174.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -34.77 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.12 0.873 . . . . 0.0 112.493 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.46 -55.22 36.1 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.111 1.765 . . . . 0.0 111.557 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.66 76.15 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.231 1.012 . . . . 0.0 112.403 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.9 ttt -67.63 -44.77 77.2 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 112.21 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tt -76.98 -26.74 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.175 0.898 . . . . 0.0 112.476 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.77 -57.02 14.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.333 1.453 . . . . 0.0 110.474 165.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.08 96.63 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.528 -0.732 . . . . 0.0 113.304 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.1 95.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.896 0.878 . . . . 0.0 112.686 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.93 -37.48 81.7 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.143 -0.973 . . . . 0.0 111.999 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.74 55.44 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.01 0.814 . . . . 0.0 112.368 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.38 85.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 118.038 0.919 . . . . 0.0 112.936 171.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -47.6 79.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.056 0.844 . . . . 0.0 112.85 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.72 -37.21 84.23 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.454 -0.779 . . . . 0.0 112.462 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.58 -36.68 83.23 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 112.86 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -66.64 -35.1 79.37 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.395 -0.815 . . . . 0.0 111.295 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -37.96 84.43 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -58.99 -34.2 71.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.719 1.145 . . . . 0.0 112.794 172.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -75.41 -15.95 60.4 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.684 1.593 . . . . 0.0 113.919 173.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -124.8 33.27 5.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.128 1.771 . . . . 0.0 111.735 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.58 93.93 7.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.409 1.484 . . . . 0.0 109.434 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -131.53 -176.83 4.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.007 1.323 . . . . 0.0 111.38 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.44 -34.06 64.13 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.717 0.807 . . . . 0.0 112.432 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -60.55 -24.13 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -29.15 69.93 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 120.236 1.38 . . . . 0.0 111.503 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -67.86 -31.36 71.13 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.688 1.131 . . . . 0.0 112.785 174.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.17 -44.38 12.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.971 0.908 . . . . 0.0 111.575 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -23.21 64.82 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.6 1.16 . . . . 0.0 112.035 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -49.42 -28.77 5.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.387 1.449 . . . . 0.0 113.452 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -47.17 -33.09 4.89 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 169.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.74 -37.73 2.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.575 1.55 . . . . 0.0 113.118 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.83 -49.13 78.7 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.832 -1.168 . . . . 0.0 112.301 170.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -65.77 -34.92 79.29 Favored 'General case' 0 C--N 1.342 0.265 0 O-C-N 120.68 -1.263 . . . . 0.0 112.261 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -71.42 -29.53 65.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.265 0.626 . . . . 0.0 112.07 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -48.84 76.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.345 0.975 . . . . 0.0 111.029 167.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.83 -38.53 91.44 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.36 1.437 . . . . 0.0 111.579 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -54.12 -46.6 72.2 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.625 1.102 . . . . 0.0 111.739 170.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -62.34 -33.25 74.35 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 116.184 -1.865 . . . . 0.0 112.698 170.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.79 -50.84 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.691 2.496 . . . . 0.0 112.013 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -40.47 95.53 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 121.083 1.765 . . . . 0.0 111.83 176.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.17 -36.37 83.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.613 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.41 -36.75 63.48 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.703 1.601 . . . . 0.0 112.223 171.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -59.26 -41.7 89.44 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 121.725 2.057 . . . . 0.0 110.797 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.97 -60.16 2.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.151 0.98 . . . . 0.0 111.519 167.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -68.44 -4.5 15.05 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 121.332 1.878 . . . . 0.0 115.367 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.46 -85.21 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.727 1.611 . . . . 0.0 107.265 156.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.433 ' HB ' HD13 ' A' ' 36' ' ' LEU . 17.6 m -69.06 -32.01 71.19 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.49 -40.75 66.66 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 121.108 1.776 . . . . 0.0 112.654 172.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -80.03 -41.6 25.45 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -55.2 -36.06 65.53 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.984 -1.484 . . . . 0.0 111.567 161.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -53.75 -52.23 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 120.999 1.727 . . . . 0.0 111.344 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -72.35 -16.36 61.87 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -86.31 -14.08 44.68 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.502 1.521 . . . . 0.0 114.014 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.452 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 8.3 mt -51.3 129.75 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.805 1.242 . . . . 0.0 110.936 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.56 158.45 32.48 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.47 1.129 . . . . 0.0 113.099 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 p -99.18 144.48 28.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.927 1.291 . . . . 0.0 110.282 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.149 1.779 . . . . 0.0 113.483 -168.492 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 120.164 0.03 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -137.79 170.28 16.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.526 1.53 . . . . 0.0 112.518 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -156.89 147.13 21.15 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.236 1.814 . . . . 0.0 111.832 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -157.58 66.27 0.49 Allowed 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.43 1.11 . . . . 0.0 111.431 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -153.33 168.07 27.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.885 1.274 . . . . 0.0 112.391 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 54.78 99.04 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 128.39 2.676 . . . . 0.0 115.089 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.29 148.77 43.44 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.781 1.232 . . . . 0.0 111.1 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -138.2 121.4 16.91 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.468 1.507 . . . . 0.0 109.812 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -156.08 174.0 16.0 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.071 1.748 . . . . 0.0 110.354 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.83 151.86 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.247 2.219 . . . . 0.0 114.227 -171.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -149.8 166.24 30.06 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.408 1.483 . . . . 0.0 111.009 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.84 162.56 21.93 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.985 1.314 . . . . 0.0 111.83 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.94 73.94 1.03 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.551 1.54 . . . . 0.0 110.845 -173.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 tt -153.2 -179.53 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 125.319 1.448 . . . . 0.0 110.925 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.17 141.52 11.15 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.982 1.313 . . . . 0.0 112.095 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -29.94 66.34 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.795 1.634 . . . . 0.0 113.406 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -49.97 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.709 1.14 . . . . 0.0 112.696 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.93 -43.48 87.97 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.927 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -57.67 -39.09 76.31 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.0 1.273 . . . . 0.0 111.539 170.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.18 -49.78 58.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 119.114 0.87 . . . . 0.0 112.722 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.9 pt -66.43 -41.18 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.001 1.273 . . . . 0.0 111.377 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -60.89 -53.99 50.48 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.222 0.919 . . . . 0.0 111.135 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -62.65 -50.94 69.22 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 117.77 -1.11 . . . . 0.0 110.443 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.23 -47.16 83.8 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 119.93 1.241 . . . . 0.0 113.25 -177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.07 -41.25 70.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.029 1.332 . . . . 0.0 112.027 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -63.05 -40.72 98.54 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 120.361 -1.462 . . . . 0.0 112.279 172.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -26.03 57.2 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.732 176.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.99 -44.54 94.45 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.586 1.994 . . . . 0.0 111.593 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mt -60.72 -32.13 71.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.061 0.944 . . . . 0.0 112.483 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -38.37 47.75 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.709 0.803 . . . . 0.0 111.957 173.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.54 -26.96 68.94 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.206 1.802 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -55.96 -24.06 36.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.016 0.926 . . . . 0.0 113.484 166.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -79.59 -29.97 41.4 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.845 -1.16 . . . . 0.0 112.342 169.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.37 -29.38 70.45 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.861 -1.149 . . . . 0.0 111.66 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.72 -40.55 75.89 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-O 118.829 -0.605 . . . . 0.0 112.033 166.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -71.82 -39.19 69.97 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.917 0.887 . . . . 0.0 111.431 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -48.18 75.38 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.502 -0.749 . . . . 0.0 110.967 172.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -33.25 68.13 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.757 1.223 . . . . 0.0 112.291 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.68 66.87 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.855 1.661 . . . . 0.0 112.458 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.31 -18.36 64.49 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.099 0.959 . . . . 0.0 113.39 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -93.85 -48.16 6.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.095 1.758 . . . . 0.0 111.494 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -83.52 12.14 6.07 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.443 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.23 79.32 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 128.15 2.58 . . . . 0.0 114.531 -171.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -133.65 -51.36 0.85 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.495 1.518 . . . . 0.0 113.391 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -150.25 -71.98 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.294 1.037 . . . . 0.0 111.512 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.252 0.2 OUTLIER -69.09 19.23 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.13 -32.86 56.36 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.537 1.935 . . . . 0.0 114.362 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -111.03 4.2 19.29 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.65 1.18 . . . . 0.0 112.222 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -104.12 -51.25 3.17 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.606 1.562 . . . . 0.0 111.111 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.9 tp -69.2 -30.38 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.006 0.922 . . . . 0.0 113.102 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.5 tt -53.07 -42.06 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 124.066 0.946 . . . . 0.0 111.796 164.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -80.78 -31.99 35.6 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 125.469 1.508 . . . . 0.0 112.884 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -69.98 -43.68 70.98 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.801 1.182 . . . . 0.0 111.949 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.4 tp -75.07 -31.56 61.26 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.799 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.26 -39.59 79.62 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.125 0.875 . . . . 0.0 112.394 160.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -60.24 -47.45 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 119.64 1.109 . . . . 0.0 111.689 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -74.3 -34.32 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.931 0.787 . . . . 0.0 112.021 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.3 t -59.93 -55.07 38.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.62 1.168 . . . . 0.0 112.108 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.02 -30.6 71.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.018 0.927 . . . . 0.0 112.784 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.8 ttt -69.49 -43.13 73.76 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.312 -0.867 . . . . 0.0 112.325 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -32.23 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.733 0.813 . . . . 0.0 112.29 175.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.75 -39.42 73.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.656 1.583 . . . . 0.0 111.138 168.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -61.33 -27.84 68.34 Favored Glycine 0 CA--C 1.536 1.378 0 O-C-N 121.094 -1.004 . . . . 0.0 114.536 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.29 -32.85 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.789 1.294 . . . . 0.0 112.574 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -66.08 -34.71 78.69 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.491 -0.755 . . . . 0.0 111.522 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.12 -36.46 61.57 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.357 0.98 . . . . 0.0 113.638 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.36 -36.96 68.91 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 117.813 0.807 . . . . 0.0 112.234 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.45 72.8 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.056 0.942 . . . . 0.0 111.632 173.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.93 -33.07 72.59 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.528 -1.358 . . . . 0.0 113.113 174.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -74.49 -36.08 63.26 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.664 -0.647 . . . . 0.0 112.052 171.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -61.04 -34.6 75.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.366 0.53 . . . . 0.0 111.833 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -22.9 55.02 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -78.56 -27.69 45.86 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.604 1.162 . . . . 0.0 112.698 173.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -79.66 -32.48 41.54 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.104 1.361 . . . . 0.0 112.11 167.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -123.58 69.53 1.04 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.067 1.747 . . . . 0.0 110.565 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -62.05 169.55 2.63 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.339 -0.85 . . . . 0.0 112.283 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.74 61.02 0.96 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.502 1.521 . . . . 0.0 111.748 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -128.02 -64.49 0.96 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.908 2.083 . . . . 0.0 109.982 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.47 -32.72 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 121.456 -0.777 . . . . 0.0 111.702 169.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.7 -27.24 67.73 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.34 0.656 . . . . 0.0 111.773 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.27 -27.66 66.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.636 0.774 . . . . 0.0 112.886 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 -105.46 -39.55 6.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.365 1.066 . . . . 0.0 111.489 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -21.67 38.44 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.154 0.981 . . . . 0.0 112.247 172.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.85 -33.83 0.84 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.213 1.405 . . . . 0.0 114.432 173.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -52.64 -23.92 7.47 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 173.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.12 -33.12 1.98 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.222 1.409 . . . . 0.0 111.646 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.8 -43.27 59.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.2 1.0 . . . . 0.0 111.864 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.31 70.62 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 121.035 -1.041 . . . . 0.0 111.405 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -71.79 -43.3 65.91 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.248 171.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -42.44 82.71 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.708 1.14 . . . . 0.0 111.307 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -68.78 -34.5 75.66 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 117.559 -1.21 . . . . 0.0 112.113 171.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -41.28 78.09 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 120.869 1.668 . . . . 0.0 111.697 168.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -63.08 -34.05 76.76 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 115.63 -2.128 . . . . 0.0 112.144 168.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.9 mm -58.27 -47.62 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 123.016 2.644 . . . . 0.0 112.034 170.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -41.5 97.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.518 1.963 . . . . 0.0 112.172 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.2 tp -70.1 -39.49 75.48 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.069 -0.491 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.452 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 19.1 mtpp -59.15 -44.02 92.06 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 127.128 2.171 . . . . 0.0 111.631 170.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -60.33 -39.46 87.15 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.156 1.343 . . . . 0.0 112.068 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -56.6 6.8 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.208 1.003 . . . . 0.0 111.692 172.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' HG3' ' HA ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -70.39 -6.95 39.26 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 119.462 -2.024 . . . . 0.0 114.144 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.52 -74.22 0.26 Allowed 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 157.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.4 m -82.14 -36.71 27.17 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -165.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -43.88 76.04 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.994 -1.691 . . . . 0.0 111.498 171.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.56 -38.81 65.1 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.966 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -41.64 71.75 Favored 'General case' 0 C--O 1.215 -0.746 0 CA-C-O 116.414 -1.755 . . . . 0.0 110.244 166.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -50.78 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 CA-C-N 121.298 1.863 . . . . 0.0 112.444 172.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -73.29 -13.14 61.07 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -101.02 -8.18 22.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.423 1.889 . . . . 0.0 113.498 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.451 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 15.8 mt -57.02 137.0 19.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 C-N-CA 124.646 1.178 . . . . 0.0 110.187 177.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -104.14 159.13 15.94 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 122.53 1.157 . . . . 0.0 111.645 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.8 p -103.3 146.71 28.05 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 125.665 1.586 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.253 1.274 0 CA-C-O 117.62 -1.181 . . . . 0.0 112.048 -173.649 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mttp . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 120.023 -0.037 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.1 135.24 44.02 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.146 1.378 . . . . 0.0 110.965 174.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.23 151.53 13.83 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.83 1.652 . . . . 0.0 109.272 170.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -153.46 100.41 2.42 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.222 0.534 . . . . 0.0 110.899 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -149.61 -57.03 0.19 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.863 0.865 . . . . 0.0 111.939 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 52.02 171.54 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.109 1.764 . . . . 0.0 114.056 -162.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -121.07 166.95 13.17 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.232 1.813 . . . . 0.0 109.05 173.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -135.16 132.2 37.71 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.907 0.883 . . . . 0.0 111.331 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -155.11 138.59 15.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.912 1.685 . . . . 0.0 109.912 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -157.12 160.43 38.82 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.886 1.274 . . . . 0.0 111.152 173.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -71.13 166.45 21.41 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.558 0.694 . . . . 0.0 111.057 166.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.3 mt -136.85 165.15 26.64 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.903 1.281 . . . . 0.0 110.048 -174.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.16 -176.61 4.0 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.027 1.731 . . . . 0.0 110.27 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 pt 35.59 75.22 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 127.256 2.223 . . . . 0.0 114.494 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 64.83 93.47 0.06 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.398 2.279 . . . . 0.0 111.999 -173.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 93' ' ' ALA . 15.8 tt0 -55.5 -25.75 38.83 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.154 -0.966 . . . . 0.0 112.408 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -61.55 -54.37 43.95 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.961 1.255 . . . . 0.0 112.88 168.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -66.24 -46.19 78.02 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.231 0.612 . . . . 0.0 110.294 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -32.84 71.79 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.79 -51.39 62.5 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.246 0.93 . . . . 0.0 111.631 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.3 pt -72.06 -35.04 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.958 1.254 . . . . 0.0 111.987 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.02 -61.72 2.37 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.571 1.078 . . . . 0.0 110.632 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -70.33 -31.68 69.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 117.353 -1.308 . . . . 0.0 112.613 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.11 -45.19 57.55 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 120.06 1.3 . . . . 0.0 113.567 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.87 -38.11 67.13 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.885 1.342 . . . . 0.0 111.311 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -66.4 -40.61 89.72 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.122 -0.986 . . . . 0.0 111.014 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -69.45 -27.34 65.16 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.733 -1.603 . . . . 0.0 113.093 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.16 -41.14 87.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 122.158 2.254 . . . . 0.0 111.406 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -45.89 90.85 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.901 0.88 . . . . 0.0 111.322 171.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.14 -33.95 76.53 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.874 0.87 . . . . 0.0 113.045 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -19.68 65.45 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.713 1.605 . . . . 0.0 112.565 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.515 ' HA ' HD23 ' A' ' 40' ' ' LEU . 75.1 mt-30 -55.39 -23.03 22.44 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.605 0.762 . . . . 0.0 113.028 165.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -77.19 -27.07 53.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.312 1.045 . . . . 0.0 112.932 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -27.28 66.48 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.755 -1.215 . . . . 0.0 110.616 175.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 59' ' ' LEU . 3.1 mm? -56.63 -48.7 76.94 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 118.849 0.75 . . . . 0.0 110.379 168.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -66.31 -43.56 85.9 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.492 0.717 . . . . 0.0 112.497 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -60.13 -38.11 82.09 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.478 -0.764 . . . . 0.0 111.961 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -31.93 36.34 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.797 1.239 . . . . 0.0 110.97 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -31.18 52.93 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.709 1.595 . . . . 0.0 112.351 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -65.34 -25.7 67.71 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.32 -42.28 12.33 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.81 1.244 . . . . 0.0 112.771 174.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -95.63 21.75 7.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.903 1.281 . . . . 0.0 113.74 -179.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 p -55.98 83.81 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.246 2.218 . . . . 0.0 114.818 -170.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -136.91 -83.09 0.36 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.098 1.759 . . . . 0.0 111.399 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -145.19 -52.78 0.28 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 125.299 1.44 . . . . 0.0 112.096 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.09 -11.17 1.01 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -57.54 -23.0 47.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.288 1.435 . . . . 0.0 114.383 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.15 -9.23 13.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.962 1.705 . . . . 0.0 112.398 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -111.38 -43.76 3.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.189 -0.944 . . . . 0.0 112.731 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.1 tp -71.53 -31.09 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 121.03 -1.044 . . . . 0.0 111.285 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.455 ' HA ' HD12 ' A' ' 40' ' ' LEU . 12.2 tt -52.21 -37.77 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.489 0.716 . . . . 0.0 111.091 166.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -81.74 -39.63 23.9 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.444 1.097 . . . . 0.0 113.183 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.63 -45.92 64.3 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.232 0.924 . . . . 0.0 112.672 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.647 HD22 HD21 ' A' ' 40' ' ' LEU . 3.8 tt -66.31 -41.91 89.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.984 171.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.35 -34.77 72.79 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.98 1.264 . . . . 0.0 112.478 172.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.36 -45.46 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.864 0.865 . . . . 0.0 110.747 170.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.58 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 118.997 0.817 . . . . 0.0 112.915 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 18.0 t -64.04 -49.25 73.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.306 1.843 . . . . 0.0 112.215 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.75 -33.84 74.6 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.007 -1.058 . . . . 0.0 112.569 175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 ttt -68.15 -45.12 74.42 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.307 1.043 . . . . 0.0 112.3 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tp -69.43 -30.72 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.139 0.881 . . . . 0.0 111.696 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -58.24 -32.97 68.84 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.499 1.045 . . . . 0.0 112.952 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.53 -32.71 71.45 Favored Glycine 0 CA--C 1.54 1.644 0 O-C-N 120.871 -1.143 . . . . 0.0 113.539 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.93 74.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.514 -0.992 . . . . 0.0 113.189 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -64.61 -31.86 73.26 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.168 -0.957 . . . . 0.0 112.806 171.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.18 -24.14 76.79 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.945 1.259 . . . . 0.0 113.754 172.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.8 -34.5 52.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.635 1.218 . . . . 0.0 112.187 165.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -34.72 73.14 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.294 -0.879 . . . . 0.0 113.038 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -27.38 68.43 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.938 -1.101 . . . . 0.0 112.893 176.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -69.39 -28.98 66.65 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.317 1.447 . . . . 0.0 112.566 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -80.28 -31.75 38.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.429 0.691 . . . . 0.0 112.355 169.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.61 -24.67 64.0 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 119.392 0.996 . . . . 0.0 112.82 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -63.92 -31.42 72.6 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 168.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -77.23 -27.99 53.55 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.559 1.144 . . . . 0.0 112.187 172.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.9 p -130.69 68.69 1.47 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.275 1.83 . . . . 0.0 110.607 -175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -53.6 166.43 0.31 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.133 1.373 . . . . 0.0 113.476 173.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.11 50.58 0.21 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.835 1.654 . . . . 0.0 113.915 -171.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -117.13 -61.45 1.71 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.88 2.072 . . . . 0.0 109.469 -167.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 85' ' ' LEU . 1.9 pp -75.7 -24.14 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.576 0.751 . . . . 0.0 112.493 165.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -60.95 -24.47 66.09 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.424 1.09 . . . . 0.0 112.654 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.84 -34.1 71.18 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.162 0.985 . . . . 0.0 113.449 172.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.17 -45.2 6.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.379 1.472 . . . . 0.0 110.531 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.79 -25.68 60.88 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.706 176.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 28.9 m-20 -40.96 -32.9 0.26 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.898 1.679 . . . . 0.0 114.679 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -52.59 -26.47 13.52 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 172.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.68 -33.11 2.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.526 1.53 . . . . 0.0 111.922 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.18 -42.03 60.51 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.571 1.548 . . . . 0.0 112.202 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -63.22 -29.85 71.11 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 121.454 -0.779 . . . . 0.0 111.145 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -82.37 -29.42 30.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.063 1.345 . . . . 0.0 113.324 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.31 -45.25 48.65 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.914 -1.116 . . . . 0.0 109.515 175.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 mp -68.59 -30.9 69.75 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 117.586 -1.197 . . . . 0.0 112.322 169.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.0 p -60.15 -39.75 87.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.459 1.936 . . . . 0.0 112.278 169.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -31.03 69.59 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 116.12 -1.895 . . . . 0.0 112.459 168.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.4 mm -61.82 -46.91 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 121.873 2.124 . . . . 0.0 112.154 172.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.02 93.16 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 122.14 2.245 . . . . 0.0 112.568 176.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.07 -40.91 71.32 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.002 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -62.39 -41.42 98.63 Favored 'General case' 0 C--O 1.214 -0.8 0 C-N-CA 125.704 1.602 . . . . 0.0 112.023 169.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -57.32 -43.32 83.23 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.534 1.515 . . . . 0.0 111.207 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.24 -54.82 14.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.655 0.782 . . . . 0.0 112.261 168.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -68.0 -3.47 10.15 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 119.845 -1.784 . . . . 0.0 114.498 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.1 -69.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 126.773 2.029 . . . . 0.0 107.699 160.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.574 HG23 HD21 ' A' ' 59' ' ' LEU . 1.2 m -76.93 -48.12 19.08 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -59.56 -38.18 80.42 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.165 -1.584 . . . . 0.0 112.21 173.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -80.07 -42.26 24.02 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.692 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.84 -37.97 60.82 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 116.907 -1.52 . . . . 0.0 110.729 166.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.88 -51.9 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.946 1.248 . . . . 0.0 112.267 173.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -73.92 -16.92 61.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.46 -11.09 56.82 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.26 1.824 . . . . 0.0 113.732 171.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.508 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 37.7 mt -54.81 135.07 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.916 1.286 . . . . 0.0 110.259 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -97.96 161.62 13.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.198 1.399 . . . . 0.0 112.09 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.0 p -96.29 152.25 18.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.576 1.951 . . . . 0.0 111.494 172.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 125.263 1.425 . . . . 0.0 112.049 -177.593 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 119.252 -0.404 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -174.43 147.03 1.1 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 126.576 1.951 . . . . 0.0 111.53 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -161.32 135.38 6.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.073 1.749 . . . . 0.0 111.883 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -163.9 147.52 9.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.462 1.905 . . . . 0.0 111.67 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -90.35 111.36 22.55 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.1 0.96 . . . . 0.0 110.253 170.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 140.98 58.03 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.03 0.532 . . . . 0.0 111.946 175.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -145.68 179.65 7.3 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.453 1.901 . . . . 0.0 110.227 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 62.79 111.32 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.139 2.176 . . . . 0.0 115.053 -175.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -154.6 169.83 22.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.607 1.963 . . . . 0.0 111.774 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 t0 66.35 174.67 0.24 Allowed 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 127.09 2.156 . . . . 0.0 113.5 -172.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -140.13 43.98 1.91 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.8 2.04 . . . . 0.0 111.361 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tt -151.21 131.7 13.83 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.685 1.994 . . . . 0.0 108.904 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.66 -63.38 1.28 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.602 1.161 . . . . 0.0 110.788 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 55.68 121.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 128.892 2.877 . . . . 0.0 114.018 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 52.27 107.66 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 126.998 2.119 . . . . 0.0 113.127 -175.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.08 -32.18 15.04 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 119.614 -1.929 . . . . 0.0 114.167 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.94 76.04 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 170.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -63.06 -50.19 71.58 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-O 117.805 -1.093 . . . . 0.0 109.41 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -44.42 15.97 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.883 1.22 . . . . 0.0 112.008 169.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -52.8 62.17 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 118.925 -0.56 . . . . 0.0 112.506 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.5 -31.78 24.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 119.706 1.139 . . . . 0.0 113.023 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.34 -55.85 7.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.815 1.646 . . . . 0.0 111.393 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.25 -35.1 63.8 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 117.52 -1.228 . . . . 0.0 110.934 173.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.84 -52.77 50.15 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-O 118.218 -1.324 . . . . 0.0 113.672 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.65 -33.02 74.69 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.239 2.019 . . . . 0.0 112.802 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -49.19 46.97 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.556 -0.715 . . . . 0.0 111.753 175.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -65.67 -20.04 66.14 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 116.957 -1.496 . . . . 0.0 112.435 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -41.6 75.5 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 121.383 1.901 . . . . 0.0 111.988 174.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.41 -37.96 77.7 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.577 -0.702 . . . . 0.0 112.414 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.71 -25.75 64.93 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.79 -1.194 . . . . 0.0 113.83 172.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 120.303 -1.498 . . . . 0.0 109.813 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -63.11 -24.87 68.1 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.588 1.555 . . . . 0.0 112.427 165.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -82.78 -27.11 31.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.42 1.088 . . . . 0.0 112.465 170.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -64.05 -26.77 68.7 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.24 -1.538 . . . . 0.0 112.974 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.31 -33.83 54.96 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.719 -0.613 . . . . 0.0 112.014 166.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.43 -41.36 61.01 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.388 1.075 . . . . 0.0 112.703 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.98 -35.28 78.03 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.602 1.092 . . . . 0.0 111.779 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -42.0 66.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.432 1.493 . . . . 0.0 110.929 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -26.29 33.69 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.418 1.087 . . . . 0.0 113.013 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.78 -26.26 60.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.977 0.911 . . . . 0.0 113.422 173.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -88.1 -46.3 9.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.923 1.289 . . . . 0.0 112.495 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 20.91 4.72 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.826 1.25 . . . . 0.0 113.597 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 t -55.88 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.949 2.1 . . . . 0.0 112.778 -174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -146.92 -76.82 0.18 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.901 1.68 . . . . 0.0 112.671 -173.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -145.07 -54.34 0.3 Allowed 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 125.302 1.441 . . . . 0.0 111.533 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.79 -7.05 4.28 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -50.9 -27.51 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.119 1.768 . . . . 0.0 114.206 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -114.76 8.37 16.1 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.838 1.255 . . . . 0.0 113.123 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -124.91 -50.09 1.72 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.6 1.56 . . . . 0.0 112.109 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.83 -24.58 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 121.724 -0.61 . . . . 0.0 112.02 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.7 -42.39 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.641 -0.662 . . . . 0.0 111.01 164.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -76.73 -41.69 44.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.393 1.077 . . . . 0.0 111.881 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.45 -46.53 88.12 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.853 0.751 . . . . 0.0 112.284 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.1 tp -73.19 -37.69 66.4 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.82 -39.65 65.71 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.914 1.234 . . . . 0.0 112.363 166.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -45.3 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-N 119.101 0.864 . . . . 0.0 111.424 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.45 -30.85 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.865 0.757 . . . . 0.0 112.67 175.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -65.43 -53.34 44.33 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.489 1.916 . . . . 0.0 110.825 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.55 -28.75 69.85 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.912 -1.117 . . . . 0.0 113.199 173.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.6 ttt -68.53 -44.43 74.61 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.097 -1.002 . . . . 0.0 112.188 172.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -76.46 -25.36 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 123.237 0.615 . . . . 0.0 112.151 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.49 -48.77 76.45 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.478 1.111 . . . . 0.0 111.044 164.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.86 -41.64 84.26 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.679 0.657 . . . . 0.0 112.626 175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.23 -36.74 74.71 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -63.12 -47.72 81.6 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.979 0.912 . . . . 0.0 111.655 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.12 98.0 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 123.864 0.745 . . . . 0.0 112.407 173.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.69 -43.41 98.87 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.588 1.194 . . . . 0.0 112.73 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -45.61 92.08 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 118.97 0.804 . . . . 0.0 112.151 176.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.36 -34.43 77.29 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.706 1.139 . . . . 0.0 112.746 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -69.03 -40.55 78.54 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.657 1.183 . . . . 0.0 112.71 175.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -65.77 -36.9 84.85 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.966 0.803 . . . . 0.0 111.77 167.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.85 -40.3 92.35 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.271 0.941 . . . . 0.0 112.524 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -56.71 -39.17 73.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.649 1.179 . . . . 0.0 112.924 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -74.75 -30.88 61.63 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.325 1.05 . . . . 0.0 113.112 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -100.31 31.47 3.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.891 1.676 . . . . 0.0 111.553 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.07 78.78 4.06 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.262 -1.524 . . . . 0.0 110.568 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.41 176.5 7.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.465 1.106 . . . . 0.0 112.529 -174.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.07 -34.59 66.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.462 1.105 . . . . 0.0 113.898 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 85' ' ' LEU . 1.8 pp -60.76 -27.09 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 120.927 -1.108 . . . . 0.0 113.613 173.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 84' ' ' ILE . 2.8 tp -70.96 -21.36 62.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.575 1.15 . . . . 0.0 112.324 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.07 -25.48 68.13 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.044 0.838 . . . . 0.0 112.655 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.98 -46.42 6.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.185 0.994 . . . . 0.0 111.625 171.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.42 -19.85 16.96 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -44.28 -34.38 1.91 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.976 1.31 . . . . 0.0 113.467 171.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.34 -30.39 39.12 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -120.38 -38.5 2.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.635 1.174 . . . . 0.0 113.682 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.23 -48.3 68.25 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.682 1.583 . . . . 0.0 112.699 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.7 -37.23 76.53 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.55 -0.719 . . . . 0.0 110.817 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.36 -26.63 65.68 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 169.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -47.08 82.77 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.756 1.162 . . . . 0.0 111.303 167.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.26 -40.49 96.1 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 120.602 1.547 . . . . 0.0 112.111 173.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 t -52.77 -44.93 66.88 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.549 0.739 . . . . 0.0 111.558 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -60.13 -40.6 90.36 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 115.969 -1.967 . . . . 0.0 113.388 167.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -55.96 -53.5 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 CA-C-N 123.104 2.683 . . . . 0.0 111.636 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -43.02 98.3 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 120.834 1.652 . . . . 0.0 111.329 177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -32.38 73.88 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.107 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HA ' ' HG3' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -72.5 -38.13 68.23 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.7 2.0 . . . . 0.0 112.05 173.014 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -63.69 -47.16 82.3 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 120.719 1.599 . . . . 0.0 110.943 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.55 -58.98 6.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 110.9 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.416 ' HG3' ' HA ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -69.72 -11.22 60.68 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 119.172 -2.205 . . . . 0.0 114.772 177.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.53 -70.24 0.38 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 120.68 1.582 . . . . 0.0 108.506 160.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.7 m -88.18 -33.96 17.99 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 120.196 1.362 . . . . 0.0 114.669 -166.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -45.19 87.07 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 120.927 1.694 . . . . 0.0 111.703 166.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -75.6 -38.32 59.13 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.159 -1.588 . . . . 0.0 111.395 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -56.73 -37.34 70.84 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.402 -1.285 . . . . 0.0 110.597 165.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.454 ' HA ' HD12 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -50.23 -49.92 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 120.67 1.577 . . . . 0.0 112.422 170.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.6 mppt? -79.23 -10.05 59.72 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -96.04 -13.28 23.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.082 1.753 . . . . 0.0 113.956 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 111' ' ' VAL . 8.4 mt -53.81 137.13 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.262 1.425 . . . . 0.0 111.352 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -90.86 152.95 20.55 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 124.822 1.249 . . . . 0.0 113.246 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.7 p -88.46 155.46 19.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.105 1.762 . . . . 0.0 110.997 165.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 . . . . . 0 C--O 1.25 1.089 0 C-N-CA 124.922 1.289 . . . . 0.0 112.089 -174.162 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.84 104.08 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 128.297 2.639 . . . . 0.0 114.124 -173.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.08 108.58 2.38 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.661 1.184 . . . . 0.0 110.828 171.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -152.27 155.06 36.95 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.668 1.187 . . . . 0.0 112.319 173.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -66.44 147.5 53.21 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.289 0.566 . . . . 0.0 110.414 168.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -146.98 153.54 40.18 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.426 1.09 . . . . 0.0 111.126 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -155.24 162.34 40.93 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.102 1.361 . . . . 0.0 110.86 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -145.54 161.39 39.88 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.269 1.428 . . . . 0.0 110.924 170.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -153.32 126.31 8.42 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.175 1.79 . . . . 0.0 109.101 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.92 86.46 0.71 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.764 0.826 . . . . 0.0 111.013 173.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -139.42 146.43 40.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.5 1.12 . . . . 0.0 111.307 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.02 157.43 41.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.835 1.654 . . . . 0.0 110.07 -178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.96 178.57 9.79 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.109 1.363 . . . . 0.0 111.553 178.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -55.93 -62.08 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.24 1.416 . . . . 0.0 112.909 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.88 107.34 19.36 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 174.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.36 -24.77 63.66 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 119.037 -0.506 . . . . 0.0 112.228 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.13 -48.2 45.4 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.86 2.064 . . . . 0.0 115.745 174.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -66.67 -42.47 86.49 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -56.04 -36.59 68.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.814 0.846 . . . . 0.0 112.842 166.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.88 69.13 Favored 'General case' 0 C--O 1.224 -0.248 0 O-C-N 120.648 -1.283 . . . . 0.0 112.366 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -72.37 -36.02 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 120.723 1.601 . . . . 0.0 110.711 171.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -63.49 -62.87 1.39 Allowed 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.183 -1.573 . . . . 0.0 111.093 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -40.47 97.08 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 124.616 1.166 . . . . 0.0 110.51 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.11 -51.78 56.19 Favored Glycine 0 N--CA 1.467 0.703 0 CA-C-N 120.826 1.648 . . . . 0.0 113.503 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.21 -38.88 89.02 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.586 1.193 . . . . 0.0 112.187 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -65.25 -42.29 93.45 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.219 0.918 . . . . 0.0 112.783 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -81.09 -19.42 43.69 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 124.856 1.262 . . . . 0.0 112.226 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.66 -42.2 98.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.449 1.477 . . . . 0.0 111.523 166.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.96 -36.03 82.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.467 0.707 . . . . 0.0 111.372 171.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.07 -35.49 74.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.149 0.98 . . . . 0.0 112.626 173.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.676 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -61.81 -26.73 68.29 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.979 1.712 . . . . 0.0 111.752 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.9 -24.85 39.87 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.454 1.102 . . . . 0.0 113.458 169.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -80.89 -25.32 37.66 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.858 -1.151 . . . . 0.0 112.589 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.54 -32.57 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.811 -1.181 . . . . 0.0 110.938 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.14 -38.74 71.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.225 0.61 . . . . 0.0 111.585 170.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.53 -42.96 64.17 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.172 0.989 . . . . 0.0 112.043 174.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -61.25 -36.48 80.11 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 120.096 1.317 . . . . 0.0 112.451 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -36.17 64.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.787 1.635 . . . . 0.0 112.171 172.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -29.87 34.19 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 120.54 1.518 . . . . 0.0 112.808 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -72.75 -27.87 62.28 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.471 1.108 . . . . 0.0 113.901 173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -87.58 -45.47 10.41 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.573 1.149 . . . . 0.0 112.425 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HE2' HG22 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -87.03 11.46 13.64 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.451 1.101 . . . . 0.0 113.447 174.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.9 t -45.92 101.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.603 1.961 . . . . 0.0 113.459 -174.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -155.99 -72.74 0.11 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.883 1.273 . . . . 0.0 112.26 -171.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -146.64 -51.6 0.22 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.265 1.826 . . . . 0.0 113.09 172.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.01 -10.27 4.01 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 16.93 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 C-N-CA 130.591 3.556 . . . . 0.0 116.659 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -159.03 -13.49 0.06 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 129.369 3.068 . . . . 0.0 112.021 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -114.81 -46.76 2.92 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.185 1.794 . . . . 0.0 111.377 -171.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 tp -71.26 -27.0 27.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.37 -0.831 . . . . 0.0 111.74 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.4 tt -52.49 -39.75 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.487 0.715 . . . . 0.0 110.74 166.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -80.98 -35.28 32.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.124 0.97 . . . . 0.0 112.518 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.85 -47.57 65.63 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.32 0.963 . . . . 0.0 112.489 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -38.76 85.71 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.557 -0.714 . . . . 0.0 110.211 174.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -60.21 -36.03 76.75 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.696 1.134 . . . . 0.0 112.409 169.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -60.37 -48.56 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 119.196 0.907 . . . . 0.0 110.92 174.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -74.76 -31.59 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.102 0.864 . . . . 0.0 111.782 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 49.0 t -62.12 -51.83 66.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.02 1.728 . . . . 0.0 111.399 174.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.92 78.64 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.774 -1.204 . . . . 0.0 112.736 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttp -67.7 -43.23 80.6 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.487 -0.758 . . . . 0.0 112.089 174.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -29.87 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.911 0.885 . . . . 0.0 112.197 178.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.91 -47.28 68.09 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.722 1.146 . . . . 0.0 111.188 165.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.08 -39.85 98.16 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.515 -0.74 . . . . 0.0 112.976 174.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.56 88.03 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.33 1.065 . . . . 0.0 113.228 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -65.52 -47.9 74.35 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.848 0.859 . . . . 0.0 110.891 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.47 -39.4 59.78 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.939 1.257 . . . . 0.0 112.633 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.2 73.78 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 118.584 1.192 . . . . 0.0 113.157 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -48.37 79.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.964 0.802 . . . . 0.0 112.157 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -35.59 80.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.068 173.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -60.06 -47.39 86.08 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 121.212 1.823 . . . . 0.0 113.789 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.62 -41.53 86.1 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.058 0.543 . . . . 0.0 111.704 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -73.18 -35.91 66.48 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.297 1.039 . . . . 0.0 113.404 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -63.42 -30.42 71.55 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 119.971 -1.706 . . . . 0.0 112.581 174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.46 -14.26 56.09 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.844 1.658 . . . . 0.0 113.83 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.9 p -129.16 36.84 4.12 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.587 2.355 . . . . 0.0 111.397 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -75.16 76.91 2.31 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.902 1.681 . . . . 0.0 111.946 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.46 -165.21 0.98 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.353 1.061 . . . . 0.0 111.047 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -73.6 -34.43 65.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.321 1.048 . . . . 0.0 112.972 -177.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.81 -26.82 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.865 0.866 . . . . 0.0 112.985 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -30.35 70.76 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.437 1.095 . . . . 0.0 112.256 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -67.24 -33.19 74.82 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.065 0.848 . . . . 0.0 112.275 176.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -84.16 -40.22 18.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.663 1.185 . . . . 0.0 111.86 174.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -30.69 71.76 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.596 0.758 . . . . 0.0 112.225 173.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 24.6 m-20 -48.01 -31.37 5.29 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.441 1.496 . . . . 0.0 113.35 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -52.1 -27.96 15.94 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -120.54 -33.52 3.82 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.066 1.346 . . . . 0.0 111.738 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -51.31 17.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.246 1.418 . . . . 0.0 112.005 178.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -61.89 -41.74 98.24 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.972 -1.08 . . . . 0.0 110.315 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -66.27 -27.51 68.0 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.257 -0.902 . . . . 0.0 112.693 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.26 -47.59 85.33 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.125 0.875 . . . . 0.0 111.013 167.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.63 -38.88 92.52 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.547 1.067 . . . . 0.0 111.706 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.6 t -52.61 -43.0 65.08 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 120.092 1.314 . . . . 0.0 111.885 170.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -65.8 -32.59 74.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 117.033 -1.461 . . . . 0.0 113.184 171.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.3 mm -54.93 -56.74 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 121.071 1.76 . . . . 0.0 110.798 172.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -38.52 79.66 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.394 2.361 . . . . 0.0 112.942 178.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.73 -41.99 82.58 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.8 -177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -63.83 -40.55 96.86 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 126.256 1.823 . . . . 0.0 111.738 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.42 -42.1 91.05 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 121.957 2.162 . . . . 0.0 111.827 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -56.45 9.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.52 1.128 . . . . 0.0 110.209 168.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -69.14 2.12 3.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 119.992 -1.692 . . . . 0.0 114.991 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.26 -70.45 0.71 Allowed 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 128.526 2.731 . . . . 0.0 107.079 165.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.676 HG22 HD12 ' A' ' 36' ' ' LEU . 30.5 m -80.26 -38.68 30.43 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.286 1.403 . . . . 0.0 113.451 -170.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.51 78.25 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.161 -1.587 . . . . 0.0 111.003 173.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -74.22 -42.52 59.63 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-O 118.337 -0.84 . . . . 0.0 110.866 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 40.9 mmtt -54.29 -39.32 66.83 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 116.679 -1.629 . . . . 0.0 110.406 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.47 -53.79 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 120.442 1.473 . . . . 0.0 112.312 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -21.62 63.19 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 174.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.39 -13.81 57.88 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.835 1.654 . . . . 0.0 113.848 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.452 HG22 ' HE2' ' A' ' 47' ' ' LYS . 29.3 mt -52.56 129.62 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.921 1.288 . . . . 0.0 110.661 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -83.07 160.07 22.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 122.595 1.188 . . . . 0.0 113.23 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 38.3 p -106.91 146.45 30.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.253 1.821 . . . . 0.0 110.234 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.255 1.39 0 C-N-CA 124.957 1.303 . . . . 0.0 112.127 -171.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.6 -170.51 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 127.087 2.155 . . . . 0.0 114.631 -170.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -153.16 170.39 20.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.024 1.73 . . . . 0.0 110.996 172.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -128.35 48.78 2.25 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.312 1.845 . . . . 0.0 111.873 -172.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -135.66 102.03 4.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.321 1.848 . . . . 0.0 111.275 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -138.34 -77.94 0.36 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.279 1.431 . . . . 0.0 110.453 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -162.39 166.73 24.73 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.823 2.049 . . . . 0.0 109.902 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -155.88 144.73 20.44 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.397 1.079 . . . . 0.0 111.067 167.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -146.85 153.0 39.64 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.006 1.722 . . . . 0.0 111.261 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -157.59 151.42 24.19 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.553 1.541 . . . . 0.0 111.143 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -151.24 151.4 31.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.115 1.366 . . . . 0.0 111.053 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 tt -160.36 -46.58 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.044 1.338 . . . . 0.0 113.151 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.37 155.69 28.1 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 118.471 0.578 . . . . 0.0 112.339 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 19' ' ' ILE . 3.3 mp -80.55 53.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 126.586 1.954 . . . . 0.0 111.452 -170.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -164.93 50.44 0.11 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.161 1.384 . . . . 0.0 111.548 -168.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.48 -30.26 12.35 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.278 -1.514 . . . . 0.0 113.173 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.65 63.17 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.973 0.909 . . . . 0.0 112.924 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -69.58 -38.93 77.56 Favored 'General case' 0 C--O 1.213 -0.844 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.475 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -37.03 71.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 120.611 1.55 . . . . 0.0 112.858 171.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.29 -51.1 56.82 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.9 -34.68 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 119.99 1.268 . . . . 0.0 111.46 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.91 -59.81 3.77 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 120.737 -1.227 . . . . 0.0 109.684 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -69.73 -31.16 68.99 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 117.1 -1.428 . . . . 0.0 111.071 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.51 -52.1 22.96 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-N 120.911 1.687 . . . . 0.0 113.764 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.74 -34.22 77.69 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.844 -1.386 . . . . 0.0 112.936 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -72.27 -37.23 69.09 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.237 -1.539 . . . . 0.0 112.936 168.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.97 -24.31 66.76 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.745 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -47.06 76.97 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 121.956 2.162 . . . . 0.0 111.762 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.7 -43.02 76.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 112.163 170.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -70.56 -29.96 66.55 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.579 1.152 . . . . 0.0 113.378 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD23 ' HB ' ' A' ' 107' ' ' THR . 4.7 tp -76.77 -30.52 56.55 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.015 2.126 . . . . 0.0 111.759 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.76 -24.92 64.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.454 1.102 . . . . 0.0 113.308 164.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -82.1 -28.17 32.46 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.711 1.142 . . . . 0.0 112.465 169.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -64.29 -27.4 69.01 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.924 -1.11 . . . . 0.0 112.636 173.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD11 HD23 ' A' ' 59' ' ' LEU . 4.5 mm? -51.83 -59.89 3.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.08 0.552 . . . . 0.0 110.326 165.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.93 -31.55 69.96 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.37 -51.05 69.73 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.841 1.656 . . . . 0.0 112.101 171.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.61 -32.03 32.19 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 122.137 -0.352 . . . . 0.0 111.692 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -57.24 -29.35 63.71 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 119.753 -1.842 . . . . 0.0 111.773 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.67 -17.75 62.22 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.93 -42.49 8.27 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.49 1.116 . . . . 0.0 111.825 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 13.42 8.96 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.364 1.466 . . . . 0.0 113.658 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 p -50.89 94.03 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.37 2.668 . . . . 0.0 112.8 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -138.73 -69.22 0.43 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.793 1.637 . . . . 0.0 111.174 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -148.95 -53.49 0.17 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.182 1.793 . . . . 0.0 111.848 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.03 -2.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 115.211 1.559 . . . . 0.0 115.211 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.76 -29.82 41.68 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.931 1.692 . . . . 0.0 113.37 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -111.29 7.98 21.26 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -119.93 -47.31 2.4 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.397 1.879 . . . . 0.0 111.321 -171.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.86 -27.11 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.592 0.757 . . . . 0.0 111.74 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tt -54.51 -43.92 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.641 1.176 . . . . 0.0 110.545 163.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -76.21 -37.23 58.04 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.865 0.757 . . . . 0.0 112.323 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -66.89 -47.1 72.86 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.25 0.932 . . . . 0.0 112.493 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 40' ' ' LEU . 27.9 tp -68.34 -38.33 81.4 Favored 'General case' 0 C--O 1.221 -0.436 0 O-C-N 121.922 -0.486 . . . . 0.0 111.222 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.54 -36.27 78.02 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.16 -0.963 . . . . 0.0 112.836 167.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.1 t -58.66 -46.32 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 119.343 0.974 . . . . 0.0 110.869 173.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.18 -25.26 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 118.909 0.777 . . . . 0.0 112.587 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -37.47 63.97 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.029 1.286 . . . . 0.0 113.244 176.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.04 -29.2 57.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.75 0.82 . . . . 0.0 112.348 171.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.9 ttt -73.41 -40.39 64.31 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.098 -1.001 . . . . 0.0 111.976 172.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.4 tp -69.25 -31.1 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.51 174.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.57 -45.13 66.32 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.827 1.649 . . . . 0.0 111.862 165.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.9 -38.25 88.03 Favored Glycine 0 CA--C 1.54 1.648 0 O-C-N 120.885 -1.134 . . . . 0.0 113.332 176.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.65 56.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.009 1.324 . . . . 0.0 113.073 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -62.19 -44.73 95.94 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.246 -0.909 . . . . 0.0 111.23 173.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.51 -45.49 89.59 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 126.3 1.905 . . . . 0.0 112.625 171.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.76 97.94 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.488 1.644 . . . . 0.0 112.931 173.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -45.23 81.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 112.768 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -69.82 -35.84 75.14 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 117.807 -1.092 . . . . 0.0 112.975 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.88 -42.69 99.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.155 1.343 . . . . 0.0 113.169 174.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -64.39 -42.13 96.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 122.862 0.465 . . . . 0.0 111.345 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -36.5 84.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.252 1.021 . . . . 0.0 112.486 169.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -32.73 74.34 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.19 -1.569 . . . . 0.0 113.054 178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -61.1 -19.06 61.02 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.626 1.17 . . . . 0.0 114.018 167.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -126.89 20.48 7.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.14 2.176 . . . . 0.0 113.351 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.33 72.53 0.08 Allowed 'General case' 0 CA--C 1.56 1.331 0 C-N-CA 127.593 2.357 . . . . 0.0 111.736 171.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.44 -173.75 2.31 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.725 1.61 . . . . 0.0 111.23 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -63.98 -31.9 73.25 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -58.14 -22.95 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -26.91 68.39 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.72 1.608 . . . . 0.0 113.414 175.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.17 -34.44 63.81 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.907 0.883 . . . . 0.0 112.347 177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -75.48 -46.25 33.51 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.554 0.742 . . . . 0.0 110.428 171.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -29.28 69.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.228 1.011 . . . . 0.0 113.217 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -50.21 -28.11 7.03 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.734 1.614 . . . . 0.0 113.217 176.249 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -48.33 -32.86 8.02 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 171.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -120.48 -35.89 3.31 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.004 2.121 . . . . 0.0 113.251 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -72.0 -36.5 69.77 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.353 -1.467 . . . . 0.0 112.752 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -63.34 -30.29 71.45 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 120.492 -1.38 . . . . 0.0 111.764 171.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -80.29 -36.83 33.85 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.339 1.056 . . . . 0.0 112.151 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -40.69 70.78 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 178.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.7 -36.6 76.08 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 117.606 -1.188 . . . . 0.0 111.536 169.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.1 p -62.4 -33.68 75.24 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 122.641 2.473 . . . . 0.0 112.932 170.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -61.89 -31.69 72.0 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 116.23 -1.843 . . . . 0.0 112.403 164.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.9 mt -63.63 -46.1 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 123.197 2.726 . . . . 0.0 113.008 172.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.08 92.16 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 121.019 1.736 . . . . 0.0 111.635 176.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.8 tp -63.51 -37.77 88.58 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.25 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -64.51 -46.18 84.08 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 125.806 1.642 . . . . 0.0 110.961 173.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -39.3 94.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 120.997 1.726 . . . . 0.0 112.242 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.51 -62.18 2.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.523 1.529 . . . . 0.0 110.05 166.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -70.46 -0.21 7.93 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.421 -2.049 . . . . 0.0 115.212 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.71 -67.56 0.82 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.397 2.279 . . . . 0.0 107.554 162.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.484 ' HB ' HD23 ' A' ' 36' ' ' LEU . 16.9 m -92.16 -31.75 15.36 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -167.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -42.33 98.04 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 120.73 1.605 . . . . 0.0 110.696 165.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -80.53 -38.29 29.98 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.344 -0.848 . . . . 0.0 110.513 -175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -56.62 -35.71 68.62 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 116.287 -1.816 . . . . 0.0 111.138 163.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.74 -50.96 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 CA-C-N 121.11 1.777 . . . . 0.0 111.747 172.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -76.45 -13.03 60.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.32 -10.6 37.72 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.404 1.881 . . . . 0.0 113.866 173.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.7 mt -51.94 132.98 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.713 1.605 . . . . 0.0 110.107 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -98.59 148.63 23.6 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 122.3 1.048 . . . . 0.0 111.463 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 20.2 p -90.69 146.37 24.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.71 1.604 . . . . 0.0 111.42 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.847 1.659 . . . . 0.0 112.692 -170.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 119.793 -0.146 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -152.63 159.54 43.21 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.718 2.407 . . . . 0.0 111.186 172.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.01 146.84 27.23 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.67 1.588 . . . . 0.0 110.581 175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.13 175.32 11.85 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 125.936 1.694 . . . . 0.0 110.777 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -104.01 135.56 45.3 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.257 1.023 . . . . 0.0 109.878 170.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -66.33 145.17 56.02 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.276 -0.89 . . . . 0.0 109.915 167.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -136.0 166.65 22.85 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 125.337 1.455 . . . . 0.0 109.622 173.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -148.4 -179.69 7.14 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.131 0.972 . . . . 0.0 110.004 169.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -135.26 -52.38 0.77 Allowed 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 123.803 0.841 . . . . 0.0 110.897 174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.0 t0 54.74 147.28 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.481 1.913 . . . . 0.0 112.723 -163.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 168.49 126.65 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.019 2.128 . . . . 0.0 111.187 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tt -162.04 74.27 0.43 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.685 1.194 . . . . 0.0 111.386 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mt 48.11 63.29 2.1 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.105 1.762 . . . . 0.0 114.603 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 tp -145.59 50.35 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 124.311 1.044 . . . . 0.0 112.661 -172.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.57 89.09 0.05 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.406 1.482 . . . . 0.0 111.761 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -52.49 -25.89 11.46 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.146 -1.596 . . . . 0.0 113.212 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -60.29 4.06 Favored 'General case' 0 C--N 1.343 0.302 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 167.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -62.37 -43.45 98.8 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.358 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -62.28 -33.48 74.72 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.224 0.92 . . . . 0.0 112.728 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.78 12.61 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.478 172.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.61 -36.57 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 120.041 1.291 . . . . 0.0 111.779 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.15 -55.7 29.28 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 119.62 -1.925 . . . . 0.0 111.316 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -50.12 68.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.227 175.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.74 -50.37 68.31 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 125.6 1.572 . . . . 0.0 114.378 -175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.54 -36.34 78.2 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.676 1.238 . . . . 0.0 111.812 175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -72.8 -34.15 66.7 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.654 -0.654 . . . . 0.0 111.792 171.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -22.53 66.6 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 116.436 -1.745 . . . . 0.0 111.753 170.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.23 -21.94 65.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 121.878 2.126 . . . . 0.0 112.674 170.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -25.11 17.58 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 169.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -78.45 -40.89 34.35 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 111.971 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.905 HD13 HG21 ' A' ' 107' ' ' THR . 2.7 pp -56.67 -21.72 29.51 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.045 1.338 . . . . 0.0 113.671 175.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.482 ' N ' HD12 ' A' ' 36' ' ' LEU . 69.3 mt-30 -59.17 -26.18 64.57 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.269 1.028 . . . . 0.0 111.394 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -69.31 -38.58 78.33 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.114 0.966 . . . . 0.0 113.011 168.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -66.06 -30.94 71.56 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 120.718 -1.239 . . . . 0.0 112.577 172.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.611 HD11 HD23 ' A' ' 59' ' ' LEU . 4.4 mm? -57.51 -46.59 83.62 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.802 0.728 . . . . 0.0 111.011 168.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.9 -41.2 95.8 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.451 1.023 . . . . 0.0 112.983 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -40.83 81.26 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.046 -1.034 . . . . 0.0 111.913 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -75.5 -35.88 60.7 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.064 1.345 . . . . 0.0 111.442 172.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -31.43 60.8 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.028 1.74 . . . . 0.0 112.045 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.7 -22.48 62.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.83 1.252 . . . . 0.0 113.43 176.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -88.65 -50.09 6.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.502 1.121 . . . . 0.0 111.72 173.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -81.42 13.72 2.84 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.698 1.199 . . . . 0.0 113.933 177.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.64 91.9 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.546 1.938 . . . . 0.0 113.194 -171.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -141.27 -65.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.251 1.42 . . . . 0.0 112.401 -170.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -143.99 -54.52 0.36 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.477 1.511 . . . . 0.0 111.059 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.38 11.18 2.07 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.11 -23.84 1.4 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.781 2.033 . . . . 0.0 115.662 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.05 8.08 7.32 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.39 1.076 . . . . 0.0 113.03 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -114.0 -41.58 3.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.7 tp -73.93 -29.45 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 119.735 1.152 . . . . 0.0 110.776 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.6 tt -51.61 -49.08 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.823 0.849 . . . . 0.0 109.95 164.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -69.99 -39.68 75.78 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 123.805 0.842 . . . . 0.0 113.091 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -62.33 -52.31 64.18 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.108 1.322 . . . . 0.0 111.76 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.611 HD23 HD11 ' A' ' 40' ' ' LEU . 41.0 tp -69.74 -35.3 74.85 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.469 -0.769 . . . . 0.0 112.105 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.3 -40.27 85.65 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.879 0.872 . . . . 0.0 112.91 166.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 t -61.14 -43.78 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.278 -0.889 . . . . 0.0 109.965 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -33.48 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 120.288 1.404 . . . . 0.0 112.768 174.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.26 79.57 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.756 1.162 . . . . 0.0 111.788 176.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.73 69.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.43 -1.419 . . . . 0.0 112.088 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.3 tpt -63.52 -45.98 88.13 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.404 0.681 . . . . 0.0 111.39 169.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.35 -28.79 45.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 O-C-N 121.631 -0.668 . . . . 0.0 112.176 175.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -26.99 62.29 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.495 1.118 . . . . 0.0 112.352 170.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.11 -23.15 78.26 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 120.946 -1.096 . . . . 0.0 114.53 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.7 71.79 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.864 1.332 . . . . 0.0 112.261 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -24.54 66.08 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.341 -0.849 . . . . 0.0 112.476 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.45 -27.7 67.2 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.088 0.852 . . . . 0.0 113.321 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.56 -33.56 58.51 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 118.109 0.955 . . . . 0.0 112.03 166.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -36.63 76.67 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.004 0.922 . . . . 0.0 112.282 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -27.75 64.72 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 120.392 -1.442 . . . . 0.0 113.325 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -42.64 68.49 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.081 1.752 . . . . 0.0 112.527 174.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.47 -35.67 80.04 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.845 -0.598 . . . . 0.0 111.018 170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -31.29 64.06 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 175.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -73.79 -30.04 62.52 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.07 0.948 . . . . 0.0 112.893 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -80.83 -30.41 35.76 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.246 1.418 . . . . 0.0 112.28 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.2 p -129.62 74.75 1.61 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 127.307 2.243 . . . . 0.0 109.828 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.45 168.09 0.42 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.073 0.949 . . . . 0.0 112.113 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.59 49.28 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.897 1.679 . . . . 0.0 114.38 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -120.4 -59.59 1.76 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.604 1.961 . . . . 0.0 111.339 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.33 -32.62 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 O-C-N 121.645 -0.66 . . . . 0.0 111.321 168.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -21.63 66.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.309 0.643 . . . . 0.0 112.173 -178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.8 -44.81 86.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.473 1.109 . . . . 0.0 113.038 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -35.58 28.06 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 118.354 0.524 . . . . 0.0 111.96 171.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -18.44 64.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.79 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 1.1 m-80 -44.52 -31.4 1.1 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.363 1.438 . . . . 0.0 113.171 170.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -51.73 -25.4 7.36 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 171.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -131.16 -30.83 1.71 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.289 1.436 . . . . 0.0 112.354 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -73.29 -43.3 61.23 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.211 1.404 . . . . 0.0 112.242 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . -62.16 -32.88 73.54 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 120.587 -1.32 . . . . 0.0 110.989 174.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -74.85 -39.7 61.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.416 1.087 . . . . 0.0 112.119 175.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -41.46 75.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.586 1.085 . . . . 0.0 111.628 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.37 -34.14 70.17 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.34 -0.85 . . . . 0.0 111.513 171.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 100' ' ' LEU . 22.8 t -61.09 -28.18 68.9 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.878 1.672 . . . . 0.0 112.297 168.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.54 -31.64 69.96 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 116.635 -1.65 . . . . 0.0 112.777 165.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.9 mt -62.71 -46.51 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.313 2.324 . . . . 0.0 112.239 175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 97' ' ' SER . 0.2 OUTLIER -67.37 -41.21 85.46 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 121.42 1.918 . . . . 0.0 111.75 177.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.56 -37.16 84.36 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 121.774 -0.579 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -62.83 -43.94 97.47 Favored 'General case' 0 C--O 1.21 -1.009 0 CA-C-O 116.6 -1.667 . . . . 0.0 111.692 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.3 77.63 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 122.801 2.546 . . . . 0.0 112.473 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.65 -60.73 2.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.332 0.653 . . . . 0.0 111.207 166.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -66.59 -4.71 9.24 Favored 'General case' 0 N--CA 1.484 1.275 0 O-C-N 119.466 -2.021 . . . . 0.0 114.246 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.32 -62.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.594 1.958 . . . . 0.0 108.075 165.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.905 HG21 HD13 ' A' ' 36' ' ' LEU . 15.5 m -91.68 -42.31 10.24 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -170.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -39.04 81.33 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 121.132 1.787 . . . . 0.0 111.74 167.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.64 -46.04 55.97 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.138 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -55.06 -34.83 63.9 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-O 117.151 -1.404 . . . . 0.0 110.962 170.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.461 ' HA ' HD12 ' A' ' 114' ' ' ILE . 1.2 t -53.0 -50.97 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 120.671 1.578 . . . . 0.0 111.206 174.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -75.8 -16.15 60.14 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.789 -1.194 . . . . 0.0 113.351 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.99 -19.76 33.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.788 1.635 . . . . 0.0 114.0 171.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 111' ' ' VAL . 16.7 mt -51.36 129.34 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.19 1.396 . . . . 0.0 110.277 -175.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -91.35 154.87 18.91 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 122.101 0.953 . . . . 0.0 113.386 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.5 p -92.98 138.46 31.46 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 125.236 1.414 . . . . 0.0 110.796 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 . . . . . 0 C--O 1.255 1.344 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -170.229 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -156.83 -80.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.597 1.559 . . . . 0.0 110.145 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -160.07 135.42 8.14 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 128.27 2.628 . . . . 0.0 109.357 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -173.95 157.93 3.06 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 126.083 1.753 . . . . 0.0 109.769 172.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -62.03 160.05 13.25 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.954 0.883 . . . . 0.0 111.618 165.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -126.15 161.49 27.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.089 1.356 . . . . 0.0 110.617 172.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -134.3 158.34 44.02 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.404 1.482 . . . . 0.0 110.436 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -147.04 154.74 41.55 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.328 1.051 . . . . 0.0 110.785 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -158.76 155.81 28.65 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.812 1.645 . . . . 0.0 109.789 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -159.04 175.6 13.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.988 1.715 . . . . 0.0 110.745 175.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.04 175.01 11.02 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.559 1.144 . . . . 0.0 109.481 169.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -134.01 177.35 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.658 1.583 . . . . 0.0 110.23 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.98 172.19 6.98 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.387 1.475 . . . . 0.0 111.057 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.0 mm 73.13 112.94 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 128.334 2.654 . . . . 0.0 111.152 -175.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 56.78 62.93 2.09 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.854 0.862 . . . . 0.0 112.593 175.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.32 -27.74 10.36 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.628 -1.295 . . . . 0.0 113.212 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.51 -55.7 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.833 0.742 . . . . 0.0 112.677 170.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -66.16 -38.5 88.23 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.256 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -61.13 -34.37 74.89 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 119.598 1.09 . . . . 0.0 113.465 171.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -49.82 68.19 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.253 0.933 . . . . 0.0 112.219 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.31 -40.4 77.79 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-N 119.602 1.092 . . . . 0.0 110.681 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -62.04 -59.46 5.05 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 121.468 1.94 . . . . 0.0 111.696 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -62.25 -43.27 99.2 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.686 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.462 ' O ' HD13 ' A' ' 33' ' ' LEU . . . -59.86 -56.94 21.98 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 119.991 1.269 . . . . 0.0 113.335 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.63 -35.44 77.9 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.786 1.634 . . . . 0.0 112.607 177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -70.84 -44.04 67.28 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.065 -1.022 . . . . 0.0 111.606 172.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.47 -26.9 68.93 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-O 117.364 -1.303 . . . . 0.0 112.051 171.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 103' ' ' ASP . 3.5 mp -63.9 -32.12 73.53 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 121.824 2.102 . . . . 0.0 112.456 176.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -42.92 95.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.51 0.724 . . . . 0.0 110.882 165.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.63 -33.46 66.65 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.254 1.021 . . . . 0.0 113.21 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -63.01 -25.06 68.21 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.751 2.42 . . . . 0.0 110.634 178.183 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.73 -21.49 41.29 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.986 0.914 . . . . 0.0 113.418 167.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -78.39 -27.35 46.78 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.603 -1.311 . . . . 0.0 111.762 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -67.33 -27.8 67.44 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.863 0.865 . . . . 0.0 111.845 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.09 -57.28 12.81 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.29 -0.862 . . . . 0.0 108.822 165.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -39.81 77.54 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 176.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -44.51 93.7 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.212 -0.93 . . . . 0.0 112.894 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD12 HD12 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -80.41 -39.71 27.81 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.457 1.103 . . . . 0.0 109.976 177.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.62 -26.89 67.36 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.282 1.033 . . . . 0.0 112.108 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -66.48 -23.05 66.2 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 166.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -95.17 -43.59 8.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.357 1.063 . . . . 0.0 112.054 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 11.21 13.68 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.884 1.273 . . . . 0.0 113.703 175.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -44.18 86.26 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 129.257 3.023 . . . . 0.0 115.348 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -127.35 -59.76 1.22 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.12 1.368 . . . . 0.0 112.427 -176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.32 -53.04 0.08 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.916 1.287 . . . . 0.0 111.74 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mp -66.62 -0.28 2.76 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -51.2 -28.43 11.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.093 1.757 . . . . 0.0 114.186 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -120.36 12.69 11.74 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.548 1.139 . . . . 0.0 112.262 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -119.69 -49.98 2.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.932 1.693 . . . . 0.0 111.605 -174.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -70.78 -25.11 25.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 O-C-N 121.72 -0.612 . . . . 0.0 111.875 174.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.29 -44.05 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-N 119.289 0.95 . . . . 0.0 110.703 163.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mmm-85 -81.54 -38.98 25.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.346 1.058 . . . . 0.0 112.609 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.08 -46.48 70.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.196 0.998 . . . . 0.0 112.03 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD23 HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -69.23 -42.1 76.14 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 118.112 -0.947 . . . . 0.0 109.517 174.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.0 -38.69 70.81 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.627 1.558 . . . . 0.0 112.739 170.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -46.58 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 O-C-N 121.28 -0.887 . . . . 0.0 110.832 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG12 HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -79.28 -28.44 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.664 0.665 . . . . 0.0 112.659 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.4 t -68.49 -45.32 72.65 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.112 1.765 . . . . 0.0 111.163 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.07 -31.71 69.43 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.268 1.027 . . . . 0.0 112.674 172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.3 ttt -71.17 -43.35 67.66 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.112 -0.993 . . . . 0.0 112.226 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 tp -68.4 -38.45 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 118.461 -0.781 . . . . 0.0 111.594 172.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.77 -47.53 50.93 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.807 1.243 . . . . 0.0 111.469 169.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.25 -36.4 68.77 Favored Glycine 0 CA--C 1.54 1.597 0 O-C-N 120.293 -1.504 . . . . 0.0 114.223 173.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.96 -35.41 64.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.405 1.082 . . . . 0.0 113.395 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -61.61 -44.18 97.48 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.257 -0.902 . . . . 0.0 111.518 168.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.29 -47.19 50.91 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.41 1.005 . . . . 0.0 111.642 168.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.64 99.67 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.868 1.334 . . . . 0.0 113.856 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -50.15 71.48 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 119.253 0.933 . . . . 0.0 112.162 177.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -68.01 -32.15 72.34 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 118.454 -0.784 . . . . 0.0 112.63 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -43.29 95.16 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.662 1.185 . . . . 0.0 113.192 173.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.72 -42.2 86.69 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.455 0.57 . . . . 0.0 110.544 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.56 -37.91 88.01 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 117.552 -1.213 . . . . 0.0 112.323 169.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -63.33 1.38 0.52 Allowed 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 121.308 1.867 . . . . 0.0 115.26 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -110.57 -5.28 15.12 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.553 1.541 . . . . 0.0 112.647 168.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 m -139.03 35.28 2.13 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.792 2.437 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -105.95 104.56 14.29 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 110.14 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -123.13 -159.29 0.83 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.12 1.368 . . . . 0.0 109.563 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -76.7 -26.0 54.22 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.995 -1.066 . . . . 0.0 112.529 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -54.21 -24.29 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 171.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -32.95 66.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.886 1.221 . . . . 0.0 112.687 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.35 -29.23 70.31 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.514 0.726 . . . . 0.0 112.55 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -93.26 -42.93 9.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.963 1.305 . . . . 0.0 111.68 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.82 -25.95 67.82 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 124.888 1.275 . . . . 0.0 112.315 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -46.9 -29.65 2.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.227 1.411 . . . . 0.0 113.353 173.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -50.93 -27.92 8.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 172.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -125.05 -32.98 2.95 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.472 1.909 . . . . 0.0 112.738 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -71.35 -39.79 71.09 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.434 -1.416 . . . . 0.0 113.235 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.93 -33.69 75.87 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 119.138 0.881 . . . . 0.0 110.42 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -73.99 -41.54 61.77 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.37 1.068 . . . . 0.0 112.673 173.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -42.9 86.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.668 1.122 . . . . 0.0 111.672 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -70.85 -32.52 69.56 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.71 169.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -56.59 -42.65 79.05 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 121.963 2.165 . . . . 0.0 111.699 170.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -59.17 -29.75 67.68 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 116.897 -1.525 . . . . 0.0 112.883 169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.49 -52.37 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 121.487 1.949 . . . . 0.0 111.086 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -38.92 72.21 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.347 1.43 . . . . 0.0 111.618 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.74 -37.98 64.92 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 116.773 -1.584 . . . . 0.0 112.09 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -56.8 -43.98 81.5 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.264 1.826 . . . . 0.0 111.009 172.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.682 ' HB3' HD11 ' A' ' 33' ' ' LEU . 15.8 m-20 -71.35 -37.15 71.69 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.182 0.593 . . . . 0.0 111.303 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 mp -65.17 -60.18 3.29 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 123.622 0.769 . . . . 0.0 111.103 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -6.37 6.76 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 118.186 -2.821 . . . . 0.0 115.17 176.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.18 -69.93 0.5 Allowed 'General case' 0 C--O 1.22 -0.462 0 O-C-N 121.02 -1.05 . . . . 0.0 109.1 156.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.603 HG22 HD12 ' A' ' 36' ' ' LEU . 56.3 m -81.72 -42.59 19.63 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.233 1.379 . . . . 0.0 114.608 -168.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -46.18 88.79 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.623 1.569 . . . . 0.0 111.691 170.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -76.02 -39.66 55.21 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.051 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -54.93 -38.46 67.7 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 116.583 -1.675 . . . . 0.0 110.446 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.1 t -51.74 -52.33 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 120.484 1.493 . . . . 0.0 111.93 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -14.59 61.33 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 177.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -91.02 -9.36 46.2 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.549 1.939 . . . . 0.0 114.108 172.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.423 HD12 HD12 ' A' ' 43' ' ' LEU . 33.0 mt -52.87 137.26 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.597 1.159 . . . . 0.0 110.485 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -100.39 146.4 27.04 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.372 1.069 . . . . 0.0 112.135 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.8 p -85.48 123.02 30.44 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.984 1.314 . . . . 0.0 111.168 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.38 1.872 . . . . 0.0 115.553 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 119.093 -0.48 . . . . 0.0 109.76 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.95 139.22 2.87 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.479 1.512 . . . . 0.0 110.858 173.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -158.79 143.06 15.61 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.289 1.436 . . . . 0.0 111.517 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -163.53 173.63 12.83 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.226 1.81 . . . . 0.0 110.774 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -149.97 -176.67 5.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.58 1.552 . . . . 0.0 111.79 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -51.06 143.35 10.68 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.898 0.879 . . . . 0.0 111.902 175.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -97.21 165.46 12.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.073 0.949 . . . . 0.0 112.537 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.72 159.37 32.37 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.436 1.095 . . . . 0.0 112.41 171.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -83.8 160.48 21.2 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.42 1.088 . . . . 0.0 112.699 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -142.78 164.6 29.66 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.914 2.086 . . . . 0.0 110.463 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.53 96.45 0.07 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.431 1.892 . . . . 0.0 112.545 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mp -107.0 156.83 18.31 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.026 1.33 . . . . 0.0 112.084 -173.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.77 177.6 5.38 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.024 0.929 . . . . 0.0 113.091 176.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.7 tt -58.73 -30.54 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.181 1.393 . . . . 0.0 114.31 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.91 94.29 6.22 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.681 1.192 . . . . 0.0 109.067 170.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.58 -29.05 64.15 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.517 -0.74 . . . . 0.0 111.532 173.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -63.94 -56.66 13.6 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.986 1.315 . . . . 0.0 113.463 174.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -68.75 -39.81 80.12 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -60.01 -32.34 70.79 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.244 0.929 . . . . 0.0 112.654 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.8 -52.51 59.91 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.939 0.79 . . . . 0.0 112.515 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.93 -36.18 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 120.11 1.323 . . . . 0.0 111.007 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.85 -48.74 65.32 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 119.883 -1.761 . . . . 0.0 111.6 -174.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.16 -33.66 38.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 117.359 -1.305 . . . . 0.0 112.776 172.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.49 -52.16 51.03 Favored Glycine 0 C--O 1.222 -0.594 0 CA-C-N 119.941 1.246 . . . . 0.0 112.828 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.13 -39.8 90.15 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.04 1.336 . . . . 0.0 111.576 177.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -62.02 -46.64 88.28 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.447 -0.783 . . . . 0.0 111.804 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.63 -18.0 63.56 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 117.665 -1.16 . . . . 0.0 113.168 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.36 -39.53 89.2 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 120.712 1.596 . . . . 0.0 110.532 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.85 -41.27 97.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.218 1.007 . . . . 0.0 112.635 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -66.88 -30.55 70.74 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.829 1.195 . . . . 0.0 113.031 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.46 HD13 ' HB ' ' A' ' 107' ' ' THR . 0.7 OUTLIER -63.74 -27.4 69.17 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.343 1.057 . . . . 0.0 112.038 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -55.72 -20.31 14.02 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.554 1.142 . . . . 0.0 113.733 168.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -83.65 -25.79 30.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.935 -1.103 . . . . 0.0 113.016 171.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -68.0 -27.0 66.18 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.745 -1.222 . . . . 0.0 112.0 170.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.09 -38.91 68.71 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.381 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.34 -42.12 79.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.637 0.775 . . . . 0.0 112.73 174.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -35.25 69.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.273 1.029 . . . . 0.0 112.543 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -35.9 25.21 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.631 1.972 . . . . 0.0 111.611 175.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -30.82 61.45 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.83 1.195 . . . . 0.0 112.539 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.74 -22.34 65.23 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.245 1.418 . . . . 0.0 114.676 172.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -94.06 -42.99 8.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.878 1.271 . . . . 0.0 111.684 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -91.81 19.47 6.51 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.472 1.509 . . . . 0.0 113.938 179.007 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 p -57.14 80.11 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 128.551 2.74 . . . . 0.0 114.593 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -131.57 -68.66 0.64 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.477 1.511 . . . . 0.0 111.996 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -145.83 -54.66 0.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.311 1.444 . . . . 0.0 111.089 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.54 6.06 2.64 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -52.46 -27.54 16.53 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.182 1.393 . . . . 0.0 113.785 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -116.83 12.03 14.65 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.889 1.275 . . . . 0.0 112.727 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -120.96 -47.52 2.28 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.112 1.765 . . . . 0.0 112.452 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.6 tp -73.29 -27.42 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 121.326 -0.859 . . . . 0.0 111.21 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.5 tt -53.34 -39.84 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.63 0.772 . . . . 0.0 111.381 163.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -77.48 -39.26 47.13 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.415 1.086 . . . . 0.0 112.124 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -70.31 -45.18 66.77 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.567 1.076 . . . . 0.0 113.367 176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -39.75 91.76 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.796 173.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -57.63 -43.55 84.92 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.22 1.373 . . . . 0.0 112.192 168.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.92 -46.25 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 120.859 -1.151 . . . . 0.0 112.063 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -30.51 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.629 0.65 . . . . 0.0 112.512 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.2 t -64.29 -52.1 60.2 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.985 2.114 . . . . 0.0 111.567 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -32.98 74.75 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 112.495 174.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ttt -67.82 -47.36 69.27 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.154 -0.966 . . . . 0.0 112.005 173.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -33.35 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 O-C-N 121.616 -0.677 . . . . 0.0 111.76 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -55.64 -53.72 53.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.233 1.413 . . . . 0.0 110.51 168.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.51 -36.63 71.38 Favored Glycine 0 CA--C 1.54 1.599 0 O-C-N 121.249 -0.907 . . . . 0.0 113.398 173.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.53 86.63 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.252 1.026 . . . . 0.0 113.209 175.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -64.82 -38.01 89.53 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.598 1.09 . . . . 0.0 111.256 170.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.41 -40.57 54.11 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.434 1.492 . . . . 0.0 113.833 169.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.52 -41.27 72.81 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.9 1.35 . . . . 0.0 112.729 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.28 -48.89 76.22 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.994 0.918 . . . . 0.0 112.144 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.41 -33.22 75.45 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.293 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -65.93 -45.51 81.59 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 120.002 1.274 . . . . 0.0 112.807 175.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.73 -38.59 85.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.199 0.454 . . . . 0.0 111.924 171.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.88 -35.31 74.55 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 174.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -63.81 -23.23 67.28 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.56 1.544 . . . . 0.0 113.738 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.4 mtt-85 -79.19 -5.46 54.29 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.132 1.373 . . . . 0.0 113.976 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.8 t -129.78 34.74 4.26 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.808 1.643 . . . . 0.0 111.665 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 63.43 0.3 Allowed 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 125.574 1.55 . . . . 0.0 112.803 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.98 -179.29 3.9 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.014 1.325 . . . . 0.0 112.131 176.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -59.7 -33.45 71.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.397 1.479 . . . . 0.0 113.681 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -57.97 -25.11 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.056 -1.028 . . . . 0.0 113.618 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.2 -24.43 64.94 Favored 'General case' 0 C--O 1.22 -0.491 0 C-N-CA 123.794 0.837 . . . . 0.0 112.255 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.83 -33.99 62.26 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 120.199 1.363 . . . . 0.0 112.028 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -50.43 32.05 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.345 1.058 . . . . 0.0 111.149 169.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -68.72 -22.21 64.35 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 117.349 -1.31 . . . . 0.0 113.746 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -50.91 -28.22 9.21 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.842 1.656 . . . . 0.0 112.892 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.12 -36.24 18.41 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.972 0.806 . . . . 0.0 112.998 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.42 -39.8 3.52 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.636 1.174 . . . . 0.0 112.306 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -65.47 -43.95 88.68 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.802 1.183 . . . . 0.0 113.538 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.518 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -65.77 -35.34 80.44 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 120.012 1.278 . . . . 0.0 111.536 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -73.58 -28.33 61.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.623 0.769 . . . . 0.0 112.183 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.21 -47.09 84.0 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.583 -1.323 . . . . 0.0 110.396 167.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.57 -40.04 95.95 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.662 171.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -59.15 -33.49 70.97 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.101 1.773 . . . . 0.0 112.966 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -28.55 67.45 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 117.153 -1.403 . . . . 0.0 112.614 168.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.4 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 121.477 1.944 . . . . 0.0 111.948 172.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -37.87 88.92 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-N 121.389 1.904 . . . . 0.0 112.019 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 tt -71.94 -42.16 66.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.305 0.642 . . . . 0.0 109.767 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -53.71 -46.83 70.9 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.501 1.92 . . . . 0.0 112.059 167.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -61.59 -39.73 92.26 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.184 1.356 . . . . 0.0 112.099 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -63.12 -64.25 0.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.981 0.912 . . . . 0.0 111.098 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 1.2 4.01 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 121.056 1.753 . . . . 0.0 115.417 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -81.87 -70.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.774 1.229 . . . . 0.0 108.156 157.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.46 ' HB ' HD13 ' A' ' 36' ' ' LEU . 47.2 m -85.3 -32.54 22.46 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -165.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -39.58 72.7 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 120.091 -1.631 . . . . 0.0 112.074 168.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.26 -41.96 63.05 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.329 -0.857 . . . . 0.0 109.814 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -54.38 -38.85 66.62 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.122 -1.418 . . . . 0.0 111.375 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -50.15 -49.92 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 120.796 1.634 . . . . 0.0 112.146 170.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -76.28 -13.89 60.14 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -93.2 -14.49 27.04 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.386 1.875 . . . . 0.0 113.646 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.434 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 20.3 mt -52.73 141.16 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.628 1.171 . . . . 0.0 110.59 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -111.85 158.75 19.05 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.384 1.088 . . . . 0.0 112.649 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 p -95.66 128.85 42.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.896 1.678 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.444 1.897 . . . . 0.0 115.131 -164.134 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.94 123.96 15.39 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.489 1.116 . . . . 0.0 111.663 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -165.69 103.23 0.69 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.692 1.197 . . . . 0.0 110.716 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -165.01 159.9 18.43 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.844 1.257 . . . . 0.0 111.94 174.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -80.21 145.75 32.09 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.523 1.129 . . . . 0.0 111.603 167.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -152.55 158.58 42.71 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.196 1.798 . . . . 0.0 111.51 170.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -153.74 137.94 16.54 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.964 1.706 . . . . 0.0 110.117 174.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.28 104.5 0.17 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.425 1.89 . . . . 0.0 109.949 176.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -159.52 -175.24 5.07 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.932 1.693 . . . . 0.0 110.326 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 59.55 82.05 0.16 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.265 1.826 . . . . 0.0 114.167 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -145.29 122.9 11.78 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.48 -0.763 . . . . 0.0 111.9 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.61 175.23 12.12 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.476 1.51 . . . . 0.0 112.261 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.55 -179.4 4.01 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.167 1.787 . . . . 0.0 112.041 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 mp 70.21 128.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 128.098 2.559 . . . . 0.0 111.07 -175.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 44.33 47.05 7.93 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.871 0.869 . . . . 0.0 112.43 -173.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.8 -26.69 36.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.862 -1.149 . . . . 0.0 112.064 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -60.43 -57.33 13.2 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.305 1.042 . . . . 0.0 112.619 167.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -62.95 -45.09 94.12 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.384 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -60.73 -32.45 71.72 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.7 -53.65 55.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.863 1.21 . . . . 0.0 111.497 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.61 -38.67 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 119.631 1.105 . . . . 0.0 111.894 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.35 -42.97 98.96 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 119.325 -2.109 . . . . 0.0 112.186 -176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -83.88 -39.45 19.86 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.07 173.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.13 -58.98 11.76 Favored Glycine 0 N--CA 1.469 0.884 0 C-N-CA 124.556 1.074 . . . . 0.0 113.046 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.99 -32.23 67.69 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.684 1.194 . . . . 0.0 112.954 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -70.58 -47.61 59.39 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.238 0.926 . . . . 0.0 112.624 170.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -71.57 -13.7 61.86 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.682 1.193 . . . . 0.0 113.456 176.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.406 HD11 ' CB ' ' A' ' 103' ' ' ASP . 3.6 mp -67.67 -30.78 70.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.328 1.451 . . . . 0.0 111.979 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.05 -34.39 76.37 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.752 -0.593 . . . . 0.0 112.253 163.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -40.23 94.51 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.341 -0.85 . . . . 0.0 111.029 170.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 107' ' ' THR . 0.1 OUTLIER -55.74 -29.34 59.39 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.17 1.388 . . . . 0.0 112.356 -178.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -56.82 -20.2 21.35 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 120.403 -1.436 . . . . 0.0 114.323 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -83.57 -29.03 28.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.909 1.683 . . . . 0.0 112.82 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -58.09 -32.6 68.23 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.072 0.851 . . . . 0.0 110.435 169.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.7 -41.19 90.22 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 119.351 0.978 . . . . 0.0 111.544 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -40.7 68.04 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.386 1.074 . . . . 0.0 113.016 174.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.58 -35.65 80.19 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 120.686 -1.259 . . . . 0.0 111.956 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -32.09 45.0 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.365 1.466 . . . . 0.0 112.522 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -32.59 54.02 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 121.285 1.857 . . . . 0.0 112.344 176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.47 -18.0 64.31 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.483 1.513 . . . . 0.0 114.771 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -38.41 8.66 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.197 1.399 . . . . 0.0 112.11 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 18.72 10.74 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.506 1.523 . . . . 0.0 113.442 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 p -54.77 87.69 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 128.281 2.632 . . . . 0.0 114.434 -175.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -138.79 -72.3 0.4 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.585 1.554 . . . . 0.0 111.637 -171.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -149.71 -56.35 0.18 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.191 1.396 . . . . 0.0 110.855 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.96 0.99 1.56 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.34 -33.14 28.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.951 1.7 . . . . 0.0 115.067 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -111.73 8.08 20.54 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.347 1.059 . . . . 0.0 112.87 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -118.87 -44.85 2.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.983 1.713 . . . . 0.0 112.117 -171.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.4 tp -70.85 -30.21 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.642 0.777 . . . . 0.0 110.936 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 tt -50.81 -41.93 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.461 165.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -76.07 -39.94 54.31 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.257 1.023 . . . . 0.0 113.393 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.06 -49.06 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.881 1.219 . . . . 0.0 112.914 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -34.37 72.19 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.559 -0.713 . . . . 0.0 111.652 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.12 -39.52 86.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.634 1.106 . . . . 0.0 111.875 166.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -45.73 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.374 0.988 . . . . 0.0 110.312 174.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -73.65 -33.76 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 118.812 0.733 . . . . 0.0 112.821 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.05 -44.42 80.21 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.213 1.405 . . . . 0.0 111.864 175.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.91 -35.35 74.51 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.64 1.176 . . . . 0.0 112.534 173.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -48.63 70.56 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.851 0.86 . . . . 0.0 111.525 173.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -38.41 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.845 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -52.09 -40.9 61.92 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.401 1.08 . . . . 0.0 112.336 167.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.93 -40.51 98.49 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 120.205 -1.559 . . . . 0.0 113.826 171.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.31 -40.68 58.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.487 1.115 . . . . 0.0 113.939 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -60.75 -43.89 97.4 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.222 -0.924 . . . . 0.0 111.242 168.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.05 -37.66 54.41 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.793 1.187 . . . . 0.0 113.533 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.93 -43.63 64.97 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.941 1.371 . . . . 0.0 113.066 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -47.51 82.43 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.262 0.625 . . . . 0.0 112.165 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.21 -34.76 76.85 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 118.321 -0.847 . . . . 0.0 113.117 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -57.13 -47.25 81.59 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.884 1.22 . . . . 0.0 112.254 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -63.89 -40.95 97.71 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.399 0.28 . . . . 0.0 111.405 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -37.04 83.41 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 175.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -27.24 68.04 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.758 1.223 . . . . 0.0 112.887 175.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -75.77 -20.42 58.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.752 1.621 . . . . 0.0 113.18 171.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.9 p -122.83 39.77 3.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.99 2.116 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.83 85.78 4.19 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.975 1.71 . . . . 0.0 111.56 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.4 -171.23 2.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.714 1.605 . . . . 0.0 111.18 -178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -72.71 -25.2 61.14 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.399 -1.438 . . . . 0.0 113.65 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pp -53.55 -28.38 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 172.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.8 -30.23 68.76 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.621 1.168 . . . . 0.0 111.631 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.86 -30.9 68.49 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.571 1.078 . . . . 0.0 113.005 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -42.86 14.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.88 1.272 . . . . 0.0 110.816 175.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -21.81 64.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 117.261 -1.352 . . . . 0.0 112.111 175.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -45.87 -33.84 3.45 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.2 1.8 . . . . 0.0 112.422 177.36 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -47.9 -27.24 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -129.77 -30.14 2.08 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.384 1.873 . . . . 0.0 112.481 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -74.25 -42.23 60.0 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.479 -1.388 . . . . 0.0 112.764 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -62.47 -32.21 73.06 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.889 0.768 . . . . 0.0 110.999 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -78.91 -38.15 38.2 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.925 1.29 . . . . 0.0 112.682 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -42.45 82.83 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.55 -1.344 . . . . 0.0 110.867 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.27 -32.17 64.5 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 117.33 -1.319 . . . . 0.0 112.8 171.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 p -57.92 -42.88 85.73 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 122.384 2.357 . . . . 0.0 111.007 171.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -56.85 -33.16 66.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 116.574 -1.679 . . . . 0.0 113.428 169.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.8 mm -59.29 -57.22 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 121.56 1.982 . . . . 0.0 110.801 173.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -40.58 87.52 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.429 1.468 . . . . 0.0 112.662 177.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.45 -41.74 93.13 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.437 0.695 . . . . 0.0 111.541 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -63.45 -44.11 95.44 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 125.863 1.665 . . . . 0.0 110.969 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.406 ' CB ' HD11 ' A' ' 33' ' ' LEU . 44.3 m-20 -63.64 -36.62 84.43 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 121.219 1.827 . . . . 0.0 111.776 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.03 -58.21 6.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.657 0.783 . . . . 0.0 111.086 165.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -65.04 -3.41 3.57 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 119.458 -2.026 . . . . 0.0 114.67 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.94 -73.59 0.48 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 126.735 2.014 . . . . 0.0 106.995 163.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 36' ' ' LEU . 14.0 m -77.69 -36.68 50.89 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.959 1.254 . . . . 0.0 113.645 -168.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.98 -41.31 78.06 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.348 1.459 . . . . 0.0 111.036 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 tm0? -79.87 -39.08 31.33 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.468 -178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -54.49 -39.38 67.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 116.243 -1.837 . . . . 0.0 110.584 163.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.65 -51.79 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 120.98 1.718 . . . . 0.0 111.978 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -66.46 -28.47 68.62 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.043 -1.036 . . . . 0.0 113.229 175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.56 -7.74 59.63 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.473 1.909 . . . . 0.0 114.599 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.1 mt -54.81 134.13 18.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 124.114 0.965 . . . . 0.0 109.827 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -91.44 152.1 20.52 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 122.555 1.169 . . . . 0.0 112.031 176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.3 p -85.85 149.8 24.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.002 1.321 . . . . 0.0 110.894 168.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 116.72 -1.609 . . . . 0.0 113.219 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 35.36 74.6 0.07 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 128.056 2.542 . . . . 0.0 115.558 -175.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -143.28 174.9 10.31 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.547 1.539 . . . . 0.0 111.512 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 57.76 171.61 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.921 2.088 . . . . 0.0 114.584 -165.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -70.95 149.6 46.52 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.971 -1.081 . . . . 0.0 110.983 164.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.71 114.9 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.364 -0.835 . . . . 0.0 109.716 165.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -59.25 168.96 1.26 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.419 1.087 . . . . 0.0 111.681 171.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -133.55 164.8 26.37 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.875 0.87 . . . . 0.0 111.526 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -116.79 104.69 11.59 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.862 1.265 . . . . 0.0 109.526 -172.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -62.55 156.92 21.75 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.089 0.956 . . . . 0.0 111.695 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -91.24 152.6 20.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 122.305 1.05 . . . . 0.0 112.476 171.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.11 176.03 9.81 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 128.157 2.583 . . . . 0.0 108.896 -175.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.57 176.95 0.16 Allowed 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 124.912 1.285 . . . . 0.0 111.877 -167.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mt 48.86 80.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 126.794 2.038 . . . . 0.0 113.191 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 44.88 84.81 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.866 1.667 . . . . 0.0 113.834 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -45.52 -35.77 4.1 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 93' ' ' ALA . . . -61.02 -53.83 52.33 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.134 0.879 . . . . 0.0 113.282 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.4 -46.84 68.89 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 123.625 0.77 . . . . 0.0 109.839 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -57.29 -36.23 70.8 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.106 0.866 . . . . 0.0 113.079 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.23 90.79 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.762 1.165 . . . . 0.0 112.894 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pp -81.9 -30.63 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.219 1.827 . . . . 0.0 112.715 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.12 -52.39 59.38 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.82 -1.175 . . . . 0.0 110.679 176.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -76.38 -34.45 58.89 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.888 174.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.0 -47.51 73.31 Favored Glycine 0 N--CA 1.466 0.663 0 CA-C-N 119.839 1.2 . . . . 0.0 113.328 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 33' ' ' LEU . 29.2 mt-10 -70.93 -30.74 67.14 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.315 1.558 . . . . 0.0 112.921 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -76.64 -35.92 57.72 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.159 -0.963 . . . . 0.0 112.309 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.07 -15.06 52.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.799 1.24 . . . . 0.0 112.75 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 30' ' ' GLU . 4.1 mt -59.84 -46.45 89.22 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 121.118 1.781 . . . . 0.0 110.225 166.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -57.83 -49.73 75.68 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.688 0.795 . . . . 0.0 110.75 168.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -59.05 -33.81 71.2 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.451 -0.78 . . . . 0.0 112.677 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.433 HD13 ' HB ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -56.2 -25.99 49.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.934 2.094 . . . . 0.0 112.505 178.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -59.26 -30.45 68.29 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.37 1.068 . . . . 0.0 112.546 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -74.12 -24.49 59.46 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.946 -1.096 . . . . 0.0 112.68 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -18.94 62.3 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.298 1.439 . . . . 0.0 112.674 172.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.61 -31.89 69.03 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.131 -0.98 . . . . 0.0 110.847 164.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.03 -42.97 56.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.287 1.035 . . . . 0.0 112.705 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -61.85 -30.57 70.94 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.976 -1.078 . . . . 0.0 112.46 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.47 -36.19 58.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.435 1.894 . . . . 0.0 111.673 172.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -23.64 25.42 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.889 1.222 . . . . 0.0 113.156 177.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -72.4 -30.93 65.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.941 1.296 . . . . 0.0 114.176 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -83.01 -50.82 8.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.149 1.38 . . . . 0.0 111.937 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HE2' ' CG2' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -85.61 17.38 3.31 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 179.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -55.12 88.58 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.404 2.282 . . . . 0.0 113.739 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -137.49 -71.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.639 1.576 . . . . 0.0 112.168 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -147.98 -54.17 0.2 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.242 1.417 . . . . 0.0 112.037 -177.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp -65.99 -0.92 2.61 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -52.32 -24.62 7.85 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.803 2.041 . . . . 0.0 115.295 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -117.51 10.91 13.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.031 1.332 . . . . 0.0 112.851 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -123.34 -47.73 1.99 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.361 1.864 . . . . 0.0 112.039 -172.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 tp -72.74 -25.39 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.583 -0.698 . . . . 0.0 111.8 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.7 tt -51.89 -42.05 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.11 0.564 . . . . 0.0 110.609 163.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -74.72 -36.53 62.69 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.387 1.075 . . . . 0.0 112.355 177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.14 -50.35 64.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.801 0.84 . . . . 0.0 112.379 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 mt -70.27 -32.9 70.92 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.503 -0.748 . . . . 0.0 111.881 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.62 -39.31 80.11 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.535 1.061 . . . . 0.0 112.119 165.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.2 t -59.9 -46.76 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.416 1.007 . . . . 0.0 111.264 174.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -34.77 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.12 0.873 . . . . 0.0 112.493 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.5 t -60.46 -55.22 36.1 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.111 1.765 . . . . 0.0 111.557 171.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.66 76.15 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.231 1.012 . . . . 0.0 112.403 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.9 ttt -67.63 -44.77 77.2 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.37 -0.831 . . . . 0.0 112.21 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.6 tt -76.98 -26.74 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.175 0.898 . . . . 0.0 112.476 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -58.77 -57.02 14.87 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.333 1.453 . . . . 0.0 110.474 165.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.95 -42.08 96.63 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 121.528 -0.732 . . . . 0.0 113.304 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.1 95.38 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.896 0.878 . . . . 0.0 112.686 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.93 -37.48 81.7 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.143 -0.973 . . . . 0.0 111.999 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.74 55.44 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.01 0.814 . . . . 0.0 112.368 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.38 85.72 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 118.038 0.919 . . . . 0.0 112.936 171.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -47.6 79.34 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.056 0.844 . . . . 0.0 112.85 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.72 -37.21 84.23 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.454 -0.779 . . . . 0.0 112.462 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.58 -36.68 83.23 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 112.86 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -66.64 -35.1 79.37 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.395 -0.815 . . . . 0.0 111.295 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.03 -37.96 84.43 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 172.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -58.99 -34.2 71.57 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.719 1.145 . . . . 0.0 112.794 172.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -75.41 -15.95 60.4 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.684 1.593 . . . . 0.0 113.919 173.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -124.8 33.27 5.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.128 1.771 . . . . 0.0 111.735 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.58 93.93 7.45 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.409 1.484 . . . . 0.0 109.434 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mp -131.53 -176.83 4.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.007 1.323 . . . . 0.0 111.38 -177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.44 -34.06 64.13 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.717 0.807 . . . . 0.0 112.432 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -60.55 -24.13 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -29.15 69.93 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 120.236 1.38 . . . . 0.0 111.503 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -67.86 -31.36 71.13 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.688 1.131 . . . . 0.0 112.785 174.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.17 -44.38 12.99 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.971 0.908 . . . . 0.0 111.575 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -23.21 64.82 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 124.6 1.16 . . . . 0.0 112.035 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -49.42 -28.77 5.53 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 120.387 1.449 . . . . 0.0 113.452 175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -47.17 -33.09 4.89 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 169.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.74 -37.73 2.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.575 1.55 . . . . 0.0 113.118 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.83 -49.13 78.7 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.832 -1.168 . . . . 0.0 112.301 170.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . . . -65.77 -34.92 79.29 Favored 'General case' 0 C--N 1.342 0.265 0 O-C-N 120.68 -1.263 . . . . 0.0 112.261 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -71.42 -29.53 65.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.265 0.626 . . . . 0.0 112.07 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -48.84 76.99 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.345 0.975 . . . . 0.0 111.029 167.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.83 -38.53 91.44 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.36 1.437 . . . . 0.0 111.579 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -54.12 -46.6 72.2 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.625 1.102 . . . . 0.0 111.739 170.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -62.34 -33.25 74.35 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 116.184 -1.865 . . . . 0.0 112.698 170.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.79 -50.84 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 122.691 2.496 . . . . 0.0 112.013 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -40.47 95.53 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 121.083 1.765 . . . . 0.0 111.83 176.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.17 -36.37 83.83 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.613 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -74.41 -36.75 63.48 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.703 1.601 . . . . 0.0 112.223 171.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -59.26 -41.7 89.44 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 121.725 2.057 . . . . 0.0 110.797 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.97 -60.16 2.88 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.151 0.98 . . . . 0.0 111.519 167.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -68.44 -4.5 15.05 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 121.332 1.878 . . . . 0.0 115.367 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -79.46 -85.21 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.727 1.611 . . . . 0.0 107.265 156.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.433 ' HB ' HD13 ' A' ' 36' ' ' LEU . 17.6 m -69.06 -32.01 71.19 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 -164.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.49 -40.75 66.66 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 121.108 1.776 . . . . 0.0 112.654 172.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -80.03 -41.6 25.45 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -55.2 -36.06 65.53 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.984 -1.484 . . . . 0.0 111.567 161.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.2 t -53.75 -52.23 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 120.999 1.727 . . . . 0.0 111.344 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -72.35 -16.36 61.87 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -86.31 -14.08 44.68 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.502 1.521 . . . . 0.0 114.014 172.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.452 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 8.3 mt -51.3 129.75 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.805 1.242 . . . . 0.0 110.936 -174.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.56 158.45 32.48 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.47 1.129 . . . . 0.0 113.099 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 p -99.18 144.48 28.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.927 1.291 . . . . 0.0 110.282 169.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.149 1.779 . . . . 0.0 113.483 -168.492 . . . . . . . . 0 0 . 1 stop_ save_